SCHEMBL21826552

SCHEMBL21826552

O=C(O)C1(CCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
HSD11B1 P28845 1/20 0.45
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 3/20 0.43

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
SCHEMBL18440724 0.92 KEAP1 (0.44) KEAP1HSD11B1HDAC2HDAC8HDAC6
SCHEMBL17451241 0.91 CYP2C19 (0.46) KEAP1HSD11B1HDAC2HDAC8HDAC6
SCHEMBL21501013 0.89 HDAC3 (0.50) KEAP1HDAC2HDAC8HDAC6HDAC3
SCHEMBL28049599 0.88 SLC6A2 (0.44) KEAP1HSD11B1SLC6A3ALDH1A1MEN1
SCHEMBL7769506 0.83 MEN1 (0.43) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL6385254 0.81 ALDH1A1 (0.43) KEAP1HSD11B1HDAC2HDAC8HDAC6
SCHEMBL25353570 0.80 ALDH1A1 (0.40) HDAC2HDAC8HDAC6HDAC3MAPK1
SCHEMBL923461 0.79 MAOA (0.48) KEAP1HSD11B1SLC6A3ALDH1A1LMNA
SCHEMBL16112217 0.79 MAPT (0.47) ALDH1A1FFAR1LMNAMAPT
SCHEMBL25354375 0.78 ALDH1A1 (0.42) HDAC2HDAC8HDAC6HDAC3MAPK1

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 9 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
CN-101646652-A Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition WYETH CORP US 2010-02-10 CN 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 KEAP1 3935/4885HSD11B1 3619/4885HDAC2 1298/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL KEAP1 3935/4885HSD11B1 3619/4885HDAC2 1298/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 KEAP1 3971/4885HSD11B1 4033/4885HDAC2 1002/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 KEAP1 3971/4885HSD11B1 4033/4885HDAC2 1002/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 KEAP1 3971/4885HSD11B1 4033/4885HDAC2 1002/4885

“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.