SCHEMBL2985397

SCHEMBL2985397

O=C(O)CCc1ccc(Cn2cccn2)cc1SCCc1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 1/20 0.49
CYP1A2 P05177 1/20 0.46

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
SCHEMBL2969845 0.88 CYP2C9 (0.56) CYP2C9CYP2C19
SCHEMBL2985993 0.83 CYP2C9 (0.71) CYP2C9CYP2C19CYP1A2
SCHEMBL2970812 0.81 CYP2C9 (1.00) CYP2C9CYP2C19
SCHEMBL2973322 0.80 CYP2C9 (0.52) CYP2C9CYP2C19
SCHEMBL2975719 0.80 CYP2C9 (0.67) CYP2C9CYP2C19
SCHEMBL2984525 0.78 CYP2C9 (0.64) CYP2C9CYP2C19
SCHEMBL2978788 0.76 CYP2C9 (0.91) CYP2C9CYP2C19
SCHEMBL13206653 0.76 CYP2C9 (0.57) CYP2C9CYP2C19
SCHEMBL2982419 0.76 CYP2C9 (0.61) CYP2C9CYP2C19
SCHEMBL13225354 0.75 CYP2C9 (0.57) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US claimed
EP-1431267-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-23 EP claimed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1431267-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-23 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-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT PTGER2, PTGER4, PTGER1 CYP2C9 369/4885CYP2C19 209/4885CYP1A2 112/4885
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient PTGER2, PTGER4, PTGER1 CYP2C9 257/4885CYP2C19 148/4885CYP1A2 76/4885

“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.