SCHEMBL4881618

SCHEMBL4881618

CCCCc1ccc(CN=C=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 9/20 0.55
▸ TRPA1 O75762 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ NAAA Q02083 4/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ESR1 P03372 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ TACR2 P21452 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SHBG P04278 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
SCHEMBL2141861 0.81 MIF (0.77) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL5500494 0.81 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4CA2CA1
SCHEMBL9610849 0.79 MIF (0.63) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL1457664 0.77 P2RY6 (0.70) MIFALDH1A1HPGDCYP3A4CA2
SCHEMBL83869 0.76 CA2 (0.65) ALDH1A1HPGDCYP3A4CA2CA1
SCHEMBL13479749 0.76 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2HSD17B10ESR1
SCHEMBL1706732 0.75 MIF (0.63) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL8763362 0.74 MIF (0.68) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL15161145 0.74 MIF (0.57) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL4594808 0.74 MIF (0.46) MIFTRPA1ALDH1A1HPGDCYP3A4

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 4 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-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 — — US disclosed
EP-1805138-A1 SULFONAMIDO COMPOUNDS THAT ANTAGONISE THE VANILLOID TRPV1 RECEPTOR Pharmeste S.r.l. (IT) 2007-07-11 — — EP disclosed
WO-2006045498-A1 SULFONAMIDO COMPOUNDS THAT ANTAGONISE THE VANILLOID TRPV1 RECEPTOR PHARMESTE S.R.L. (IT) 2006-05-04 — — 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 (1 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-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 MIF 698/4885TRPA1 2/4885ALDH1A1 2182/4885

“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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