SCHEMBL17785045

SCHEMBL17785045

CC(C(=O)O)c1ccc(CNS(=O)(=O)NC(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.54
▸ CA14 Q9ULX7 2/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ TRPV1 Q8NER1 9/20 0.42
▸ CA2 P00918 1/20 0.41
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C2 P52895 3/20 0.41
▸ PTGS2 P35354 4/20 0.40
▸ PTGS1 P23219 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ FABP2 P12104 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL17785011 0.90 CA12 (0.47) CA12CA14CA1CA7TRPV1
SCHEMBL14797865 0.82 CA12 (0.55) CA12CA14CA1CA7CA2
SCHEMBL14798862 0.82 CA12 (0.72) CA12CA14CA1CA7CA2
SCHEMBL14797680 0.80 TRPV1 (0.56) TRPV1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12983076 0.79 TRPV1 (0.52) TRPV1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL14797597 0.78 CA12 (0.51) CA12CA14CA1CA7CA2
SCHEMBL14798800 0.76 CA12 (0.55) CA12CA14CA1CA7CA2
SCHEMBL23833321 0.74 KCNA5 (0.43) TRPV1APP
SCHEMBL30193003 0.74 KCNA5 (0.43) TRPV1APP
SCHEMBL28849667 0.73 CA12 (0.58) CA12CA14CA1CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108593-B Substituted oxazole and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II 美迪福伦DBT有限公司 2020-03-24 — — CN disclosed
EP-3224252-B1 SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II MEDIFRON DBT INC (KR) 2019-01-09 — — EP disclosed
EP-3224252-A1 SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II MEDIFRON DBT INC. (KR) 2017-10-04 — — EP disclosed
US-9771359-B1 Substituted oxazole- and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II MEDIFRON DBT INC. (KR) 2017-09-26 — — US disclosed
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II MEDIFRON DBT INC. (KR) 2017-09-07 — — US disclosed
CN-107108593-A Substituted oxazole and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II 美迪福伦DBT有限公司 2017-08-29 — — CN disclosed
WO-2016082930-A9 SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II Grünenthal GmbH (DE) 2016-11-24 — — WO disclosed
WO-2016082930-A1 SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II Grünenthal GmbH (DE) 2016-06-02 — — 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-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II TRPV1, TRPV2, GPR17 CA12 2883/4885CA14 3224/4885CA1 2986/4885

“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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