SCHEMBL5878760

SCHEMBL5878760

CCc1ccc(O)cc1SC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.41
HSD17B3 P37058 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AB1 P08238 1/20 0.37
HSD17B1 P14061 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ESRRB O95718 1/20 0.37
ESRRA P11474 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
SCHEMBL22592566 0.83 TYR (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL5878543 0.83 HSD17B3 (0.40) TYRHSD17B3MEN1TP53CYP3A4
SCHEMBL20349308 0.82 TYR (0.39) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL26936388 0.81 TYR (0.62) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL19719755 0.78 MAPT (0.40) MEN1TP53MAPTALOX15KMT2A
SCHEMBL2090095 0.76 EGFR (0.38) MAPT
SCHEMBL17689059 0.75 DDR1 (0.39) MEN1TP53MAPTALOX15HTT
SCHEMBL1724358 0.75 TYR (0.48) TYRHSD17B3MEN1TP53CYP3A4
SCHEMBL2481401 0.75 HSD17B10 (0.36) TYRMEN1TP53CYP3A4MAPT
SCHEMBL30979257 0.75 TYR (0.48) TYRHSD17B3MEN1TP53CYP3A4

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-7129234-B2 Phenyl heterocyclyl ethers PFIZER INC. (US) 2006-10-31 US disclosed
EP-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP disclosed
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP disclosed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US disclosed
EP-1377550-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 US disclosed
WO-2002083643-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-10-24 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 (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-20030207857-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI TYR 580/4885HSD17B3 1707/4885MEN1 1147/4885
US-20040106594-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI TYR 580/4885HSD17B3 1707/4885MEN1 1147/4885

“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.