SCHEMBL2117873

SCHEMBL2117873

CC(=O)OCc1onc(-c2ccc(C(F)(F)F)cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
TRPV1 Q8NER1 8/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
NOTUM Q6P988 1/20 0.42
STAT3 P40763 2/20 0.40
STAT1 P42224 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
GSTP1 P09211 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
TRPM2 O94759 1/20 0.37
KCNK3 O14649 1/20 0.37

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
SCHEMBL2120610 0.86 PTGS1 (0.42) PTGS1TRPV1GPBAR1NOTUMFFAR4
SCHEMBL2118466 0.79 TRPV1 (0.44) PTGS1TRPV1GPBAR1STAT3STAT1
SCHEMBL2120590 0.73 TRPV1 (0.58) TRPV1GPBAR1STAT3STAT1MEN1
SCHEMBL13542853 0.69 ALDH1A1 (0.58) MEN1KMT2AMAPT
SCHEMBL2774983 0.69 GPBAR1 (0.47) GPBAR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11263501 0.68 MLYCD (0.51) TRPV1GPBAR1STAT3STAT1MEN1
SCHEMBL5904590 0.68 MEN1 (0.43) TRPV1GPBAR1MEN1KMT2AMAPT
SCHEMBL5904542 0.68 MLYCD (0.50) TRPV1GPBAR1MEN1KMT2AMAPT
SCHEMBL2780502 0.68 GPBAR1 (0.58) GPBAR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2118396 0.67 TRPV1 (0.57) TRPV1GPBAR1STAT3STAT1

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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US disclosed
EP-2393788-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP disclosed
WO-2010089297-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, P2RX5 PTGS1 379/4885TRPV1 1/4885GPBAR1 795/4885

“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.