SCHEMBL4625352

SCHEMBL4625352

CS(=O)(=O)Nc1ccc(CC#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ LMNA P02545 4/20 0.63
▸ HPGD P15428 3/20 0.63
▸ HTT P42858 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ PKM P14618 2/20 0.57
▸ MAPT P10636 1/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ KIF11 P52732 1/20 0.46
▸ PGR P06401 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ AR P10275 1/20 0.45

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
SCHEMBL6800246 0.81 CA1 (0.59) SMN1; SMN2ALDH1A1LMNAPKMMAPT
SCHEMBL4146317 0.81 HPGD (0.63) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL23864649 0.81 PTK2 (0.51) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL5201373 0.80 NR3C1 (0.51) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL6014610 0.78 HPGD (1.00) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL13538978 0.77 HPGD (0.74) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL12054668 0.77 KEAP1 (0.75) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL179127 0.76 HPGD (0.73) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL518113 0.76 HPGD (0.73) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL28111475 0.76 LMNA (0.56) SMN1; SMN2ALDH1A1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 — — US disclosed
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 — — US disclosed
EP-1303483-B1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2008-04-23 — — EP disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 — — US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 — — US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 — — EP disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 — — US disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 — — EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 — — 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-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 SMN1; SMN2 2222/4885ALDH1A1 2306/4885LMNA 4375/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 SMN1; SMN2 1383/4885ALDH1A1 2182/4885LMNA 4716/4885

“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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