SCHEMBL2117465

SCHEMBL2117465

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 2/20 0.54
USP30 Q70CQ3 1/20 0.50
P2RY14 Q15391 5/20 0.49
TSPO P30536 2/20 0.49
CYP2C9 P11712 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
PTPN1 P18031 5/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HRH1 P35367 1/20 0.45
OPRD1 P41143 1/20 0.45
PPARD Q03181 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDR P35968 1/20 0.43
MAOA P21397 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
SCHEMBL11619922 0.87 PTPN1 (0.57) PTPN1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3101558 0.82 PTPN1 (0.64) CSGALNACT1PTPN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20303187 0.80 HDAC4 (0.55) PTPN1
SCHEMBL15919682 0.80 PTPN1 (0.56) PTPN1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3533246 0.80 SMN1; SMN2 (0.51) USP30PTPN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL212382 0.80 RAB9A (0.68) CYP2C9PTPN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8183194 0.80 ABCB1 (0.55) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL5202132 0.80 ABCB1 (0.55) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL2117865 0.79 KDM4E (0.52) CSGALNACT1USP30CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8880032 0.79 HCAR2 (0.55) CSGALNACT1PTPN1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781915-A Diacylglycerol acyltransferase inhibitors PIRAMAL LIFE SCIENCES LTD 2012-11-14 CN disclosed
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 CSGALNACT1 858/4885USP30 3311/4885P2RY14 26/4885

“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.