SCHEMBL4396667

SCHEMBL4396667

COC(=O)CSCc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
KMT2A Q03164 1/20 0.48
SPR P35270 1/20 0.48
LMNA P02545 1/20 0.47
HSP90AB1 P08238 1/20 0.46
RAB9A P51151 3/20 0.45
EGFR P00533 1/20 0.44
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
MAPK1 P28482 2/20 0.43
FFAR1 O14842 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL13791042 0.84 CYP1A2 (0.48) CYP1A2KMT2ALMNARAB9AIDO1
SCHEMBL2210286 0.83 CYP1A2 (0.52) CYP1A2KMT2ALMNARAB9AIDO1
SCHEMBL3913913 0.83 CYP1A2 (0.52) CYP1A2KMT2ALMNARAB9AALDH1A1
SCHEMBL3905722 0.81 CYP1A2 (0.62) CYP1A2RAB9AIDO1POLBCYP2C19
SCHEMBL560042 0.81 MAPK1 (0.59) CYP1A2LMNARAB9AALDH1A1GAA
SCHEMBL2279810 0.80 CYP1A2 (0.50) CYP1A2KMT2ARAB9AALDH1A1GAA
SCHEMBL30435086 0.80 HSP90AB1 (0.67) CYP1A2KMT2ASPRLMNAHSP90AB1
SCHEMBL979023 0.80 HSP90AB1 (0.67) CYP1A2KMT2ASPRLMNAHSP90AB1
SCHEMBL4396952 0.78 CYP1A2 (0.58) CYP1A2KMT2ARAB9AALDH1A1GAA
SCHEMBL1124591 0.77 SPR (0.57) SPRLMNAHSP90AB1EGFRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7037914-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-02 US disclosed
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-11-10 US disclosed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US disclosed
US-6506757-B1 A peroxisome proliferator activated receptor regulator containing a carboxylic acid derivative, is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive and/or a remedy for diseases associating metabolic disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2003-01-14 US disclosed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 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-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD CYP1A2 316/4885KMT2A 1654/4885SPR 4264/4885
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD CYP1A2 322/4885KMT2A 1405/4885SPR 4142/4885

“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.