SCHEMBL2796211

SCHEMBL2796211

COC(=O)c1ccc(-c2cccc(N)c2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.49
GAA P10253 3/20 0.47
PTGS1 P23219 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.43
LDHA P00338 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PIK3CA P42336 1/20 0.40
NOTUM Q6P988 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL29580754 1.00 CFTR (0.49) CFTRGAAPTGS1MAPTALDH1A1
SCHEMBL3912237 0.86 LDHA (0.54) CFTRGAAMAPTALDH1A1HPGD
SCHEMBL2794241 0.84 MCL1 (0.60) CFTRGAAPTGS1MAPTALDH1A1
SCHEMBL29530817 0.84 MCL1 (0.60) CFTRGAAPTGS1MAPTALDH1A1
SCHEMBL1458185 0.84 GAA (0.60) CFTRGAAPTGS1MAPTALDH1A1
SCHEMBL6438400 0.83 GAA (0.54) CFTRGAAMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL2324114 0.83 GAA (0.58) CFTRGAAPTGS1MAPTALDH1A1
SCHEMBL2798764 0.81 CTSS (0.47) CFTRPTGS1MCL1KDM4E
SCHEMBL2798768 0.81 CTSS (0.47) CFTRPTGS1MCL1KDM4E
SCHEMBL9942857 0.81 CFTR (0.71) CFTRGAAPTGS1MAPTALDH1A1

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-20100168079-A1 Biaryl Benzylamine Derivatives ANGST DANIELA 2010-07-01 US disclosed
US-20100168079-A1 Biaryl Benzylamine Derivatives ANGST DANIELA 2010-07-01 US disclosed
US-20100168079-A1 Biaryl Benzylamine Derivatives ANGST DANIELA 2010-07-01 US 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-20100168079-A1 Biaryl Benzylamine Derivatives BRD3, BRD2, BBOX1 CFTR 799/4885GAA 211/4885PTGS1 4198/4885

“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.