SCHEMBL12604274

SCHEMBL12604274

Cc1c[nH]cc1-c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
CYP2A6 P11509 5/20 0.41
GPR35 Q9HC97 1/20 0.41
IMPDH2 P12268 1/20 0.39
BTK Q06187 1/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2E1 P05181 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDO2 P48775 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 1/20 0.36
CCNE1 P24864 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
SCHEMBL21848864 0.72 CYP2A6 (0.59) CYP2A6GPR35CYP2B6CYP2E1MEN1
SCHEMBL11937865 0.72 LRRK2 (0.51) CYP2A6GPR35IMPDH2CYP2B6CYP2E1
SCHEMBL1126765 0.72 ACMSD (0.50) CYP2A6GPR35BTKCYP2B6CYP2E1
SCHEMBL1989501 0.71 HSD17B10 (0.56) MEN1USP2MAPTALOX15KMT2A
SCHEMBL6320052 0.71 CYP2A6 (0.52) CYP2A6GPR35CYP2B6CYP2E1MAPT
SCHEMBL2094933 0.70 CYP2A6 (0.42) CYP2A6GPR35BTKCYP2B6CYP2E1
SCHEMBL10767146 0.68 CYP2A6 (0.49) CYP2A6GPR35BTKCYP2B6CYP2E1
SCHEMBL14003393 0.68 CYP2A6 (0.53) CYP2A6GPR35IMPDH2BTKCYP2B6
SCHEMBL27465618 0.68 PDCD1 (0.44) BRD4CYP2A6GPR35CYP2B6CYP2E1
SCHEMBL22734811 0.68 CYP2A6 (0.52) CYP2A6GPR35IMPDH2CYP2B6CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943787-B2 Preparation of pentafluorosulfanyl (SF5) heterocycles: pyrroles and thiophenes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-17 US disclosed
US-20110040103-A1 PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-17 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 (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-20110040103-A1 PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES SF3B5, SFXN3, CXCR5 BRD4 902/4885CYP2A6 2913/4885GPR35 279/4885

“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.