SCHEMBL21825916

SCHEMBL21825916

Cc1cnc(O)c(C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.40
LDHB P07195 3/20 0.40
CYP3A4 P08684 3/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
NOTUM Q6P988 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL28331329 0.81 KDM4E (0.48) LDHALDHBCYP3A4ACHEKMT2A
SCHEMBL1769880 0.79 KDM4E (0.39) LDHALDHBCYP3A4ACHEKMT2A
SCHEMBL16445970 0.78 KDM4E (0.46) LDHALDHBCYP3A4ACHEKMT2A
SCHEMBL21826454 0.75 KDM4E (0.38) CYP3A4KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL31633617 0.74 KDM4E (0.50) LDHALDHBCYP3A4ACHEKMT2A
SCHEMBL978399 0.74 KDM4E (0.50) LDHALDHBCYP3A4ACHEKMT2A
SCHEMBL28849171 0.73 KDM4E (0.70) CYP3A4ACHEKMT2AKDM4EALDH1A1
SCHEMBL10765197 0.72 DPP4 (0.39) LDHALDHBCYP3A4ACHEKMT2A
SCHEMBL3448876 0.72 KDM4E (0.37) LDHALDHBCYP3A4ACHEKMT2A
SCHEMBL1747657 0.71 CYP3A4 (0.39) LDHALDHBCYP3A4ACHEKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 CN disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 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 (5 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 LDHA 3000/4885LDHB 3137/4885CYP3A4 4072/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL LDHA 3000/4885LDHB 3137/4885CYP3A4 4072/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 LDHA 3908/4885LDHB 4048/4885CYP3A4 4168/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 LDHA 3908/4885LDHB 4048/4885CYP3A4 4168/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 LDHA 3908/4885LDHB 4048/4885CYP3A4 4168/4885

“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.