SCHEMBL4624085

SCHEMBL4624085

CC(C)(C)c1ccc(CN)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLF10 Q13118 1/20 0.47
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C19 P33261 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTR1D P28221 2/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ PLG P00747 2/20 0.36
▸ KLK1 P06870 2/20 0.36
▸ KLK6 Q92876 2/20 0.36

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
SCHEMBL22275799 0.88 KLF10 (0.53) KLF10CYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL24825592 0.81 IDO1 (0.42) KLF10CYP2D6ALDH1A1HPGDHSD17B10
SCHEMBL30184112 0.81 IDO1 (0.42) KLF10CYP2D6ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL29187473 0.79 IDO1 (0.45) KLF10CYP2D6ALDH1A1HPGDHSD17B10
SCHEMBL10233336 0.78 ALDH1A1 (0.57) KLF10CYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL18901113 0.78 ALDH1A1 (0.57) KLF10CYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL31273837 0.78 ALDH1A1 (0.57) KLF10CYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL7979494 0.78 KLF10 (0.47) KLF10CYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL12049340 0.78 HTR1D (0.46) CYP2D6CYP2C19CYP1A2ALDH1A1MEN1
SCHEMBL1447610 0.78 KLF10 (0.47) KLF10CYP2D6CYP2C19CYP1A2ALDH1A1

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 14 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
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
CN-100439332-C Novel thiourea derivatives and the pharmaceutical compositions containing thd same PACFIC CORP (KR) 2008-12-03 — — CN disclosed
EP-1303483-B1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2008-04-23 — — EP 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-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
CN-1418191-A Novel thiourea derivatives and pharmaceutical compositions containing the same PACFIC CORP (KR) 2003-05-14 — — CN 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 KLF10 3165/4885CYP2D6 988/4885CYP2C19 841/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 KLF10 2282/4885CYP2D6 720/4885CYP2C19 658/4885

“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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