SCHEMBL9570508

SCHEMBL9570508

CC(Cc1cccs1)OS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 4/20 0.40
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
CTSC P53634 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14718390 1.00 CYP2C19 (0.46) CYP2C19RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5306866 0.84 ALDH1A1 (0.41) CYP2C19RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4204863 0.81 CYP2C19 (0.44) CYP2C19RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL9685444 0.79 MEN1 (0.44) CYP2C19RAB9AALDH1A1NPC1POLB
SCHEMBL25306777 0.78 CYP2C19 (0.50) CYP2C19RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL28820319 0.73 RAB9A (0.48) CYP2C19RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4210692 0.73 ALDH1A1 (0.38) CYP2C19RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL22441312 0.73 TAAR1 (0.47) RAB9ANPC1MEN1KMT2A
SCHEMBL21378558 0.73 TAAR1 (0.47) RAB9ANPC1MEN1KMT2A
SCHEMBL3589541 0.73 TAAR1 (0.47) RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
EP-0522956-A2 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI (FR) 1993-01-13 EP 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 (2 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-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 CYP2C19 1210/4885RAB9A 1909/4885ALDH1A1 2215/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 CYP2C19 1210/4885RAB9A 1909/4885ALDH1A1 2215/4885

“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.