SCHEMBL16770865

SCHEMBL16770865

CS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE2A O00408 2/20 0.46
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
CCNA1 P78396 1/20 0.44
CDK6 Q00534 1/20 0.44
HSD11B1 P28845 1/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 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
SCHEMBL25111091 0.85 CA1 (0.44) ALDH1A1L3MBTL1HSD11B1
SCHEMBL66378 0.83 TRPV4 (0.53) MCL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL29907293 0.83 TRPV4 (0.53) MCL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL28230701 0.82 ALOX5AP (0.46) MCL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL16770737 0.82 DDR1 (0.50) MCL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL27855832 0.81 MRGPRX4 (0.47) MCL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL6038959 0.81 KIF11 (0.49) MCL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL6038948 0.81 MEN1 (0.46) MCL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL168415 0.81 L3MBTL1 (0.55) MCL1ALDH1A1L3MBTL1PDE2AADRA1A
SCHEMBL13407614 0.81 MCL1 (0.51) MCL1MEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 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-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 MCL1 2090/4885MEN1 2487/4885ALDH1A1 1306/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR MCL1 3234/4885MEN1 2716/4885ALDH1A1 1503/4885

“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.