SCHEMBL798992

SCHEMBL798992

Cc1nc(C(C)C)cc(C(F)(F)F)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PDE2A O00408 1/20 0.34
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27128939 0.85 CYP3A4 (0.46) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL10271825 0.80 HSP90AA1 (0.52) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL25065713 0.80 CYP2C19 (0.62) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL21212137 0.80 CYP3A4 (0.58) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL13822035 0.80 CYP3A4 (0.58) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL22767093 0.78 CYP2C19 (0.61) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL13790110 0.78 NOS3 (0.50) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24848629 0.77 CYP3A4 (0.59) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL20211619 0.77 CYP2C19 (1.00) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL21731005 0.76 CYP2C19 (0.58) CYP2C19CYP3A4CYP2D6TSHRCRHBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-21 US disclosed
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. 2020-11-12 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP2C19 3954/4885CYP3A4 4072/4885CYP2D6 3248/4885
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 CYP2C19 3771/4885CYP3A4 4362/4885CYP2D6 3537/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF CYP2C19 4116/4885CYP3A4 3785/4885CYP2D6 3584/4885
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 CYP2C19 746/4885CYP3A4 1161/4885CYP2D6 429/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV CYP2C19 2802/4885CYP3A4 3050/4885CYP2D6 1900/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP2C19 3954/4885CYP3A4 4072/4885CYP2D6 3248/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 CYP2C19 873/4885CYP3A4 1314/4885CYP2D6 564/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 CYP2C19 3771/4885CYP3A4 4362/4885CYP2D6 3537/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 CYP2C19 3771/4885CYP3A4 4362/4885CYP2D6 3537/4885
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 CYP2C19 3771/4885CYP3A4 4362/4885CYP2D6 3537/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV CYP2C19 2802/4885CYP3A4 3050/4885CYP2D6 1900/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 CYP2C19 3771/4885CYP3A4 4362/4885CYP2D6 3537/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CYP2C19 4141/4885CYP3A4 4168/4885CYP2D6 3547/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 CYP2C19 3269/4885CYP3A4 3653/4885CYP2D6 2777/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 CYP2C19 3892/4885CYP3A4 4075/4885CYP2D6 3872/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 CYP2C19 4347/4885CYP3A4 4816/4885CYP2D6 4301/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 CYP2C19 3637/4885CYP3A4 4200/4885CYP2D6 4473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.