SCHEMBL10499652

SCHEMBL10499652

N#CCCSc1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DAO P14920 2/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 2/20 0.34
MPI P34949 1/20 0.34
LMNA P02545 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9515929 0.82 TDP1 (0.45) HTTNPSR1TDP1DAOTP53
SCHEMBL6812238 0.81 DAO (0.39) HTTNPSR1TDP1DAOMAOA
SCHEMBL11617330 0.79 MAOA (0.49) HTTNPSR1MAOAMAOBHPGD
SCHEMBL6815592 0.76 PNMT (0.47) HTTNPSR1TDP1DAOTP53
SCHEMBL9647414 0.76 DAO (0.32) DAOMAOAMAOBHAO1
SCHEMBL10410234 0.75 CDK1 (0.45) HTTNPSR1TDP1DAOHPGD
SCHEMBL11630453 0.74 ALDH1A1 (0.38) TDP1MAOAMAOBHPGDTP53
SCHEMBL9040127 0.73 TDP1 (0.40) HTTNPSR1TDP1DAOTP53
SCHEMBL7531348 0.72 KIF11 (0.42) HTTNPSR1TDP1DAOMEN1
SCHEMBL15960057 0.72 THRB (0.48) HTTNPSR1TDP1DAOMAOA

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
US-9889111-B2 Pharmaceutical composition comprising omega-(arylsulfonyl)alkylnitrile OLATEC THERAPEUTICS LLC (US) 2018-02-13 US disclosed
US-20170105962-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-(ARYLSULFONYL)ALKYLNITRILE OLATEC THERAPEUTICS, INC. 2017-04-20 US disclosed
US-20170105962-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-(ARYLSULFONYL)ALKYLNITRILE OLATEC THERAPEUTICS, INC. 2017-04-20 US disclosed
US-9481644-B2 Pharmaceutical composition comprising omega-(arylsulfonyl)alkylnitrile OLATEC THERAPEUTICS LLC (US) 2016-11-01 US disclosed
US-9481644-B2 Pharmaceutical composition comprising omega-(arylsulfonyl)alkylnitrile OLATEC THERAPEUTICS LLC (US) 2016-11-01 US disclosed
US-20150087701-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-(ARYLSULFONYL)ALKYLNITRILE OLATEC THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087701-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-(ARYLSULFONYL)ALKYLNITRILE OLATEC THERAPEUTICS, INC. 2015-03-26 US disclosed
US-4876247-A ANTIINFLAMMATORY AGENTS SANOFI (FR) 1989-10-24 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 (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-20150087701-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-(ARYLSULFONYL)ALKYLNITRILE ALOX15B, FADS1, ALOX15 HTT 704/4885NPSR1 491/4885TDP1 4195/4885
US-20170105962-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-(ARYLSULFONYL)ALKYLNITRILE ALOX15B, FADS1, ALOX15 HTT 704/4885NPSR1 491/4885TDP1 4195/4885

“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.