SCHEMBL14360010

SCHEMBL14360010

COc1ccccc1C(F)(F)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PGR P06401 1/20 0.44
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL30040149 1.00 AR (0.44) ARCA1CA2CA7CA9
SCHEMBL31347528 0.78 CA1 (0.46) ARCA1CA2CA7CA9
SCHEMBL6558441 0.78 CA1 (0.46) ARCA1CA2CA7CA9
SCHEMBL255270 0.77 CA1 (0.55) ARCA1CA2CA7CA9
SCHEMBL30093322 0.77 CA1 (0.55) ARCA1CA2CA7CA9
SCHEMBL28228661 0.77 CA1 (0.55) ARCA1CA2CA7CA9
SCHEMBL6234577 0.77 CA1 (0.44) ARCA1CA2CA7CA9
SCHEMBL27708857 0.74 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL30039455 0.74 AR (0.40) ARCA1CA2CA7CA9
SCHEMBL21033757 0.74 AR (0.40) ARCA1CA2CA7CA9

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
CN-111372936-B Mcl-1 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2022-12-02 CN disclosed
CN-111372936-A Mcl-1 selective inhibitors, their preparation and use 北京赛林泰医药技术有限公司 2020-07-03 CN disclosed
WO-2019101144-A1 SELECTIVE MCL-1 INHIBITOR AND PREPARATION AND USE THEREOF 北京赛林泰医药技术有限公司 2019-05-31 WO disclosed
US-9447029-B2 Fluorinated arylalkylaminocarboxamide derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2016-09-20 US disclosed
EP-2723710-B1 FLUORINATED ARYLALKYLAMINOCARBOXAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2016-08-10 EP disclosed
EP-2723710-A1 FLUORINATED ARYLALKYLAMINOCARBOXAMIDE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2014-04-30 EP disclosed
US-20140088074-A1 FLUORINATED ARYLALKYLAMINOCARBOXAMIDE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2014-03-27 US disclosed
WO-2013000651-A1 FLUORINATED ARYLALKYLAMINOCARBOXAMIDE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-01-03 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-20140088074-A1 FLUORINATED ARYLALKYLAMINOCARBOXAMIDE DERIVATIVES CACNA1E, CACNA1B, CACNA1A AR 678/4885CA1 2189/4885CA2 161/4885

“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.