SCHEMBL4636293

SCHEMBL4636293

CC(C)NS(=O)(=O)Cc1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.54
▸ CNR2 P34972 6/20 0.54
▸ GLA P06280 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PARP14 Q460N5 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MEP1A Q16819 1/20 0.42
▸ MEP1B Q16820 1/20 0.42

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
SCHEMBL4636453 0.83 GLA (0.49) CNR1CNR2GLAALDH1A1MAPT
SCHEMBL16000123 0.81 MAPT (0.50) CNR1CNR2ALDH1A1MAPTADAMTS4
SCHEMBL16000106 0.80 ACLY (0.46) ALDH1A1
SCHEMBL16914850 0.80 CA1 (0.58) CNR1CNR2GLAALDH1A1MAPT
SCHEMBL2401047 0.79 GLA (0.51) CNR1CNR2GLAALDH1A1MAPT
SCHEMBL4433007 0.78 MEN1 (0.43) CNR1CNR2ALDH1A1
SCHEMBL4637575 0.78 ALDH1A1 (0.43) CNR1CNR2ALDH1A1ADAMTS4
SCHEMBL16000102 0.78 CNR1 (0.53) CNR1CNR2ALDH1A1ADAMTS4MMP13
SCHEMBL21886080 0.78 TAAR1 (0.44) ALDH1A1MAPTPARP14ADAMTS4MMP13
SCHEMBL12303232 0.78 GLA (0.50) CNR1CNR2GLAALDH1A1MAPT

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-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 — — US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 — — US disclosed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 — — EP disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 — — US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 — — US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 — — EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 — — 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S CNR1 128/4885CNR2 197/4885GLA 1305/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 CNR1 962/4885CNR2 1978/4885GLA 3888/4885

“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.

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