SCHEMBL2118466

SCHEMBL2118466

OCc1onc(-c2ccc(C(F)(F)F)cc2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CASP3 P42574 2/20 0.41
STAT3 P40763 2/20 0.40
STAT1 P42224 1/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
MLYCD O95822 1/20 0.39
CHUK O15111 1/20 0.39
TXNRD1 Q16881 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL5904590 0.82 MEN1 (0.43) TRPV1MEN1KMT2AGPBAR1MLYCD
SCHEMBL2117873 0.79 PTGS1 (0.47) TRPV1MEN1KMT2AGPBAR1STAT3
SCHEMBL11263501 0.76 MLYCD (0.51) TRPV1MEN1KMT2AGPBAR1CASP3
SCHEMBL2120590 0.76 TRPV1 (0.58) TRPV1MEN1KMT2AGPBAR1STAT3
SCHEMBL5772937 0.73 MAPT (0.54) TRPV1MEN1KMT2AGPBAR1MLYCD
SCHEMBL6739552 0.69 PTGS2 (0.45) PTGS1
SCHEMBL6736940 0.69 PTGS2 (0.53) MLYCDPTGS1
SCHEMBL5774283 0.69 HIF1A (0.41) TRPV1MEN1KMT2ASTAT3STAT1
SCHEMBL1225839 0.69 PTGS1 (0.49) MEN1KMT2AS1PR1S1PR3MLYCD
SCHEMBL6504714 0.69 S1PR1 (0.65) S1PR1S1PR3CHUKTXNRD1NOX4

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 TRPV1 1/4885MEN1 4795/4885KMT2A 2932/4885

“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.