SCHEMBL16346563

SCHEMBL16346563

CC(C#N)(CO)NC(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.46
APOL1 O14791 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
EPHX2 P34913 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 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
SCHEMBL7252334 0.87 TRPV1 (0.47)
SCHEMBL16375412 0.86 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AHPGDHDAC1
SCHEMBL18329186 0.85 EPHX2 (0.40) CTSLNPC1PKMRAB9AHDAC3
SCHEMBL16346744 0.85 OGG1 (0.46) CTSLALDH1A1NPC1RAB9AHPGD
SCHEMBL16346728 0.85 POLB (0.47) ALDH1A1NPC1RAB9AHDAC3HDAC1
SCHEMBL16346499 0.85 TRPV1 (0.38) CTSLNPC1RAB9AEPHX2HTT
SCHEMBL16376235 0.84 POLB (0.53) CTSLNPC1RAB9AHDAC3HDAC1
SCHEMBL13525247 0.84 ANO1 (0.36) CTSLNPC1PKMRAB9AEPHX2
SCHEMBL16346463 0.82 PLK1 (0.49) ALDH1A1NPC1PKMRAB9AHPGD
SCHEMBL16340916 0.82 EPHX2 (0.50) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368868-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universite Zurich (CH) 2016-12-22 US claimed
EP-3016514-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universität Zürich (CH) 2016-05-11 EP claimed
WO-2015000929-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universität Zürich (CH) 2015-01-08 WO claimed
US-20160368868-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universite Zurich (CH) 2016-12-22 US disclosed
US-20160368868-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universite Zurich (CH) 2016-12-22 US disclosed
US-20160368868-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universite Zurich (CH) 2016-12-22 US disclosed
EP-3016514-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universität Zürich (CH) 2016-05-11 EP disclosed
WO-2015000929-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universität Zürich (CH) 2015-01-08 WO disclosed
WO-2015000929-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS Universität Zürich (CH) 2015-01-08 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-20160368868-A1 N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS HRH4, HRH2, CNR1 CTSL 893/4885APOL1 4388/4885ALDH1A1 327/4885

“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.