SCHEMBL4890740

SCHEMBL4890740

CCOC(=O)/C=C/c1ccc(C(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA7 P43166 1/20 0.69
CA9 Q16790 1/20 0.69
CA14 Q9ULX7 1/20 0.69
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.60
TTR P02766 1/20 0.59
DPP4 P27487 1/20 0.59
MAOB P27338 1/20 0.54
FDPS P14324 1/20 0.51
TRPV1 Q8NER1 3/20 0.50
ESR1 P03372 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL4890745 1.00 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL10939791 0.88 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL13957401 0.88 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL5059085 0.88 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL847387 0.88 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL847388 0.88 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL3143890 0.86 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL1260527 0.86 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL1689725 0.86 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1689727 0.86 CA12 (0.67) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 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
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
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
WO-2010006130-A2 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. (US) 2010-01-14 WO 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
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
US-5376659-A Fungicide for plants DOWELANCO (US) 1994-12-27 US disclosed
WO-1992010475-A1 NOVEL HETEROCYCLIC AMIDINES AND GUANIDINES AS PLANT FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 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 (3 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 CA12 3462/4885CA1 3550/4885CA2 1239/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 CA12 3180/4885CA1 3106/4885CA2 1234/4885
US-20110178083-A1 PDE-10 INHIBITORS PDE12, PDE10A, PDE2A CA12 2667/4885CA1 710/4885CA2 1828/4885

“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.