SCHEMBL4461408

SCHEMBL4461408

COC(=O)CCc1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL19824761 0.89 LTA4H (0.49) OPRM1OPRD1LTA4HTAAR1KMT2A
SCHEMBL28130228 0.88 NAAA (0.49) OPRM1OPRD1LTA4HTAAR1KMT2A
Cyclopropane SCHEMBL11656939 0.85 LTA4H (0.46) OPRM1OPRD1LTA4HTAAR1ALDH1A1
SCHEMBL1258879 0.84 CYP4F2 (0.58) TAAR1KMT2ALMNAHTTTDP1
SCHEMBL111429 0.83 L3MBTL1 (0.54) KMT2ALMNAALDH1A1HTTMAPT
SCHEMBL29059723 0.83 CTSS (0.43) OPRM1OPRD1LTA4HTAAR1KMT2A
SCHEMBL6172268 0.81 SLC1A3 (0.43) OPRM1OPRD1LTA4HTAAR1ALDH1A1
SCHEMBL3353073 0.81 ALDH1A1 (0.53) OPRM1OPRD1TAAR1KMT2ALMNA
SCHEMBL20557014 0.81 TDP1 (0.51) OPRM1OPRD1LTA4HTAAR1ALDH1A1
SCHEMBL34470938 0.81 TDP1 (0.51) OPRM1OPRD1LTA4HTAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145692-B Preparation method of 4, 5-dihydro-6H-cyclopenta[b]thiophene-6-ketone YANCHENG INST TECHNOLOGY 2014-07-16 CN claimed
CN-103145692-A Preparation method of 4, 5-dihydro-6H-cyclopenta[b]thiophene-6-ketone YANCHENG INST TECHNOLOGY 2013-06-12 CN claimed
EP-1185524-B1 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER LAMBERT CO (US) 2005-01-26 EP claimed
US-20040127724-A1 3-heteroarylalkyl substituted GABA analogs YUEN PO-WAI (US) 2004-07-01 US claimed
JP-2003500486-A 2003-01-07 JP claimed
EP-1185524-A2 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER-LAMBERT COMPANY (US) 2002-03-13 EP claimed
WO-2000073296-A2 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER-LAMBERT COMPANY (US) 2000-12-07 WO claimed
CN-103145692-B Preparation method of 4, 5-dihydro-6H-cyclopenta[b]thiophene-6-ketone YANCHENG INST TECHNOLOGY 2014-07-16 CN disclosed
CN-103145692-A Preparation method of 4, 5-dihydro-6H-cyclopenta[b]thiophene-6-ketone YANCHENG INST TECHNOLOGY 2013-06-12 CN disclosed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
EP-1836182-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-09-26 EP disclosed
US-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-1989012629-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
US-4143051-A GREATER TISSUE SPECIFICITY OF ACTION PFIZER INC. (US) 1979-03-06 US disclosed
US-4113723-A TISSUE SPECIFICITY PFIZER INC. (US) 1978-09-12 US disclosed
US-4102894-A TISSUE SPECIFICITY PFIZER INC. (US) 1978-07-25 US disclosed
US-4080368-A PROSTAGLANDINS PFIZER INC. (US) 1978-03-21 US disclosed
US-3980642-A 15-Substitute D-ω-pentanorprostaglandins PFIZER INC. (US) 1976-09-14 US disclosed
US-3956284-A INCREASED TISSUE SPECIFITY OF ACTION PFIZER INC. (US) 1976-05-11 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 (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-20060122257-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO OPRM1 4628/4885OPRD1 4510/4885LTA4H 2880/4885
US-20040127724-A1 3-heteroarylalkyl substituted GABA analogs GABRB3, GABRB1, GABRB2 OPRM1 989/4885OPRD1 452/4885LTA4H 801/4885

“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.