SCHEMBL1440328

SCHEMBL1440328

O=C(N[C@H](C(=O)O)C1CC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 3/20 0.52
GAA P10253 1/20 0.51
CYP2C9 P11712 4/20 0.49
TSHR P16473 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2C19 P33261 3/20 0.49
CTSK P43235 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
ATM Q13315 1/20 0.49
CASP1 P29466 2/20 0.48
DPP4 P27487 1/20 0.48
KCNH2 Q12809 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2163641 1.00 CTRB1 (0.52) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL7810127 0.94 ALDH1A1 (0.54) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL7337637 0.94 ALDH1A1 (0.52) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL7333566 0.94 ALDH1A1 (0.54) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL31581699 0.93 DPP4 (0.48) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL31581882 0.93 DPP4 (0.48) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL30433069 0.93 CYP3A4 (0.47) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL22683992 0.93 CYP3A4 (0.47) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL22683994 0.93 CYP3A4 (0.47) CTRB1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL26663785 0.93 ALDH1A1 (0.50) CTRB1ALDH1A1CYP1A2GAACYP2C9

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595253-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2026-04-07 US disclosed
US-12421213-B2 Benzamides of pyrazolylamino- pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2025-09-23 US disclosed
US-20250115586-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 US disclosed
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
US-12098142-B2 Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-09-24 US disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 WO disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
US-20050107368-A1 Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate IRM LLC (BM) 2005-05-19 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO disclosed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 US disclosed
WO-2005018568-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-03-03 WO disclosed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO 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 (8 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-20050107368-A1 Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate CTSS, CTSZ, CTSV CTRB1 97/4885ALDH1A1 1040/4885CYP1A2 1852/4885
US-12595253-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK1, JAK3, JAK2 CTRB1 2663/4885ALDH1A1 2979/4885CYP1A2 1206/4885
US-20050049244-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTRB1 43/4885ALDH1A1 3512/4885CYP1A2 3810/4885
US-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTRB1 43/4885ALDH1A1 3512/4885CYP1A2 3810/4885
US-20250115586-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 CTRB1 2753/4885ALDH1A1 1725/4885CYP1A2 457/4885
US-12421213-B2 Benzamides of pyrazolylamino- pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 CTRB1 3138/4885ALDH1A1 1300/4885CYP1A2 497/4885
US-12098142-B2 Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof JAK1, JAK3, JAK2 CTRB1 3029/4885ALDH1A1 1326/4885CYP1A2 376/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTRB1 43/4885ALDH1A1 3512/4885CYP1A2 3810/4885

“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.