SCHEMBL2117773

SCHEMBL2117773

O=C(O)c1onc(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.55
LMNA P02545 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
PTGS2 P35354 2/20 0.43
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
MAPK14 Q16539 2/20 0.41
GABRA5 P31644 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL2120590 0.83 TRPV1 (0.58) TRPV1GPBAR1DHODH
SCHEMBL16245833 0.82 LMNA (0.47) TRPV1LMNAGPBAR1PTGS2BCL2L1
SCHEMBL2118642 0.81 TRPV1 (0.58) TRPV1
SCHEMBL2118385 0.77 TRPV1 (0.45) TRPV1
SCHEMBL2120127 0.76 TRPV1 (0.52) TRPV1LMNAGABRA5L3MBTL1
SCHEMBL2120123 0.76 TRPV1 (0.52) TRPV1LMNAGABRA5L3MBTL1
SCHEMBL1686419 0.75 TRPV1 (0.55) TRPV1
SCHEMBL2120016 0.73 TRPV1 (1.00) TRPV1
SCHEMBL17873985 0.72 KMT2A (0.45) LMNAPTGS2TSHR
SCHEMBL457706 0.72 GPBAR1 (0.59) LMNAGPBAR1PTGS2GABRA5TSHR

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 1/4885LMNA 4013/4885GPBAR1 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.