SCHEMBL3418888

SCHEMBL3418888

Cc1nc(-c2ccccc2Cl)sc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
ALDH1A1 P00352 6/20 0.64
RAB9A P51151 5/20 0.64
NPC1 O15118 2/20 0.64
MAPT P10636 2/20 0.64
KDM4E B2RXH2 5/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
HTR2C P28335 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
XDH P47989 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL4740528 0.88 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL27858909 0.87 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL3435617 0.84 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL28001590 0.83 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL3371496 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL3436651 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL3413746 0.82 KDM4E (0.65) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL3435040 0.81 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL3436649 0.80 KDM4E (0.55) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL3436652 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E

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
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 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 (1 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR SMN1; SMN2 2879/4885ALDH1A1 1626/4885RAB9A 3699/4885

“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.