SCHEMBL16583152

SCHEMBL16583152

COc1ccc(SCCC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
KDM4E B2RXH2 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
HRH3 Q9Y5N1 1/20 0.45
NMT2 O60551 3/20 0.45
NMT1 P30419 3/20 0.45
APP P05067 1/20 0.45
RYR2 Q92736 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL418525 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAOBMAOAKDM4E
SCHEMBL17041364 0.81 MAOB (0.56) ALDH1A1GAASMN1; SMN2MAOBMAOA
SCHEMBL25034012 0.80 MTNR1A (0.54) ALDH1A1GAASMN1; SMN2MTNR1AMTNR1B
SCHEMBL11488472 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAOBMAOAKDM4E
SCHEMBL15856977 0.79 NPC1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9808184 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOBMAOAKDM4E
SCHEMBL5167250 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOBMAOAKDM4E
SCHEMBL9348226 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAOBMAOAKDM4E
SCHEMBL5172139 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAOBMAOAKDM4E
SCHEMBL9770431 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAOBMAOAKDM4E

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 7 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

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 ALDH1A1 1394/4885GAA 2289/4885SMN1; SMN2 1124/4885
US-20170105962-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-(ARYLSULFONYL)ALKYLNITRILE ALOX15B, FADS1, ALOX15 ALDH1A1 1394/4885GAA 2289/4885SMN1; SMN2 1124/4885

“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.