SCHEMBL4248338

SCHEMBL4248338

CCCS(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
MEP1B Q16820 2/20 0.52
AKR1C3 P42330 6/20 0.51
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPT P10636 1/20 0.49
IL1RN P18510 1/20 0.49
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL11311538 0.90 CYP2C19 (0.49) CYP2C19MEP1BAKR1C3F2PRSS1
SCHEMBL35184 0.88 CYP2C19 (0.55) CYP2C19MEP1BAKR1C3F2PRSS1
SCHEMBL29453097 0.88 CYP2C19 (0.55) CYP2C19MEP1BAKR1C3F2PRSS1
SCHEMBL11196979 0.85 GAA (0.49) AKR1C3F2PRSS1PRSS2PRSS3
SCHEMBL31656383 0.85 GAA (0.49) AKR1C3F2PRSS1PRSS2PRSS3
SCHEMBL31401215 0.85 CYP2C19 (0.60) CYP2C19MEP1BAKR1C3F2PRSS1
SCHEMBL31401049 0.85 CYP2C19 (0.60) CYP2C19MEP1BAKR1C3F2PRSS1
SCHEMBL10721937 0.83 F2 (0.55) CYP2C19MEP1BAKR1C3F2PRSS1
SCHEMBL4256145 0.83 LOX (0.51) ALDH1A1CA1CA2KMT2A
Hydrochloric Acid SCHEMBL11481772 0.82 CYP2C19 (0.50) CYP2C19MEP1BAKR1C3F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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 (1 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX CYP2C19 229/4885MEP1B 292/4885AKR1C3 490/4885

“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.