SCHEMBL874580

SCHEMBL874580

CC(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 1.00
KMT2A Q03164 1/20 0.74
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL882771 0.85 F2R (1.00) F2RKMT2ARAB9ANPC1ALDH1A1
SCHEMBL10069461 0.85 F2R (1.00) F2RKMT2ARAB9ANPC1ALDH1A1
SCHEMBL882467 0.83 F2R (1.00) F2RKMT2A
SCHEMBL29766853 0.83 F2R (1.00) F2RKMT2A
SCHEMBL882810 0.82 F2R (1.00) F2RKMT2ARAB9ANPC1ALDH1A1
SCHEMBL10069979 0.81 F2R (0.76) F2RKMT2ARAB9ANPC1ALDH1A1
SCHEMBL882468 0.81 F2R (0.85) F2RKMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL10069454 0.80 F2R (0.72) F2RKMT2ARAB9ANPC1ALDH1A1
SCHEMBL10069980 0.80 KMT2A (0.73) F2RKMT2ARAB9ANPC1ALDH1A1
SCHEMBL378588 0.79 GAA (0.69) F2RKMT2ARAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-20130331411-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2013-12-12 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 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-20130331411-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 F2R 1/4885KMT2A 3844/4885RAB9A 1920/4885

“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.