SCHEMBL29779979

SCHEMBL29779979

COc1ccc(C=CC(=O)N(c2ccccn2)C2CCSC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 15/20 0.75
▸ ALDH1A1 P00352 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ POLB P06746 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ MAPT P10636 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CACNA1B Q00975 1/20 0.52
▸ APBA1 Q02410 1/20 0.52
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL20773116 1.00 TRPM8 (0.75) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL22074351 0.90 TRPM8 (0.61) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL20773103 0.89 TRPM8 (0.74) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL29779968 0.89 TRPM8 (0.74) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL22109040 0.89 TRPM8 (0.74) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL29779992 0.89 TRPM8 (0.71) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL29779961 0.89 TRPM8 (0.71) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL20777268 0.89 TRPM8 (0.71) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL22074427 0.89 ALDH1A1 (0.78) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL10270949 0.86 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients BASF SE (DE) 2022-09-06 — — US claimed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 — — EP 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-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients TRPM8, TRPM7, TRPM5 TRPM8 1/4885ALDH1A1 1810/4885KDM4E 3711/4885

“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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