SCHEMBL495940

SCHEMBL495940

CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ATM Q13315 1/20 0.40
CYP2C19 P33261 1/20 0.37
HSD11B1 P28845 1/20 0.37
HSD17B3 P37058 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL22751141 0.87 CA1 (0.49) CA1CA2CA9ATMCYP2C19
SCHEMBL28741529 0.87 EPAS1 (0.41) CA1CA2CA9CYP2C19ALDH1A1
SCHEMBL29365046 0.85 CA1 (0.50) CA1CA2CA9ATMCYP2C19
SCHEMBL1772862 0.85 CA1 (0.50) CA1CA2CA9ATMCYP2C19
SCHEMBL19179633 0.85 HSD11B1 (0.46) HSD11B1
SCHEMBL3952428 0.84 KIF11 (0.37) CA1CA2CA9HSD11B1HSD17B3
SCHEMBL2454881 0.84 CA1 (0.49) CA1CA2CA9ATMCYP2C19
SCHEMBL29909456 0.83 CYP2C19 (0.52) CA1CA2CA9ATMCYP2C19
SCHEMBL4066885 0.83 CYP2C19 (0.52) CA1CA2CA9ATMCYP2C19
SCHEMBL4517030 0.81 CA1 (0.49) CA1CA2CA9ATMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (2 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP CA1 4376/4885CA2 2610/4885CA9 2741/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CA1 2067/4885CA2 267/4885CA9 1791/4885

“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.