SCHEMBL8235461

SCHEMBL8235461

C=S1(=O)CCC(C(C)(C)C)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31

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
SCHEMBL8235170 0.86
SCHEMBL8235145 0.79 EPHX1 (0.33) EPHX1
SCHEMBL23344731 0.75 EPHX1 (0.31) EPHX1
SCHEMBL12794573 0.74
SCHEMBL23344732 0.71
SCHEMBL10211375 0.70
SCHEMBL23342709 0.70 MAPT (0.38)
SCHEMBL430531 0.70 MAPT (0.38)
SCHEMBL26290678 0.70 MAPT (0.38)
SCHEMBL12163667 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-8648081-B2 Parasiticidal dihydroisoxazole compounds ELI LILLY AND COMPANY (US) 2014-02-11 US disclosed
US-8486946-B2 Pyrazolo [4,3-c] cinnolin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-7851467-B2 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-12-14 US disclosed
US-7772239-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-04-17 US disclosed
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-20 US disclosed
US-7329752-B2 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-02-12 US disclosed
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2007-05-24 US disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 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 (6 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-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A EPHX1 1610/4885
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B EPHX1 2172/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS EPHX1 3204/4885
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A EPHX1 1606/4885
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B EPHX1 2172/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS EPHX1 2616/4885

“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.