SCHEMBL20777281

SCHEMBL20777281

CCOc1ccc(OCC(=O)N(c2cc[nH]n2)C2CCSC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 4/20 0.45
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.38
▸ DRD4 P21917 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALPL P05186 1/20 0.35

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
SCHEMBL20777357 0.93 TRPM8 (0.54) TRPM8MAPTKMT2ALMNASMN1; SMN2
SCHEMBL20777380 0.93 TRPM8 (0.45) TRPM8MAPTKMT2ALMNASMN1; SMN2
SCHEMBL22074350 0.86 TRPM8 (0.62) TRPM8MAPTKMT2ALMNASMN1; SMN2
SCHEMBL20777284 0.85 MAPT (0.42) TRPM8MAPTKMT2ALMNASMN1; SMN2
SCHEMBL20777283 0.85 TRPM8 (0.45) TRPM8MAPTKMT2ALMNASMN1; SMN2
SCHEMBL22074476 0.83 TRPM8 (0.49) TRPM8MAPTKMT2ALMNASMN1; SMN2
SCHEMBL20777282 0.83 TRPM8 (0.56) TRPM8MAPTKMT2ALMNASMN1; SMN2
SCHEMBL29780001 0.83 TRPM8 (0.56) TRPM8MAPTKMT2ALMNASMN1; SMN2
SCHEMBL20777320 0.83 MEN1 (0.46) TRPM8KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL29780007 0.83 MEN1 (0.46) TRPM8KMT2ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 — — EP disclosed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 — — EP disclosed
EP-3675809-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-07-08 — — EP disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 — — US disclosed
WO-2019043164-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2019-03-07 — — 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-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM5 TRPM8 1/4885MAPT 1475/4885KMT2A 3482/4885

“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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