SCHEMBL20314815

SCHEMBL20314815

N#C/C=C/C(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL20314813 0.79 CYP3A4 (0.50) TRPM8ALDH1A1GLATSHRMEN1
SCHEMBL9716632 0.79 CYP3A4 (0.50) TRPM8ALDH1A1GLATSHRMEN1
SCHEMBL9716636 0.79 CYP3A4 (0.50) TRPM8ALDH1A1GLATSHRMEN1
SCHEMBL20314812 0.79 TRPM8 (0.46) TRPM8ALDH1A1GLATSHRMEN1
SCHEMBL9405499 0.79 TRPM8 (0.46) TRPM8ALDH1A1GLATSHRMEN1
SCHEMBL4235763 0.78 TRPM8 (0.58) TRPM8ALDH1A1SNCAMEN1NPC1
SCHEMBL10220933 0.78 TRPM8 (0.69) TRPM8ALDH1A1GLANPC1
SCHEMBL2992708 0.75 GSTO1 (0.54) TRPM8ALDH1A1GLATSHRMEN1
SCHEMBL547256 0.72 ALDH1A1 (0.52) TRPM8ALDH1A1GLATSHRMEN1
SCHEMBL11315866 0.70 ALDH1A1 (0.50) ALDH1A1GLATSHRMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669289-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2020-06-02 — — US disclosed
US-20180179232-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 — — US disclosed
US-20180179232-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 — — US 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-10669289-B2 Boronic acid derivatives BCL9, BCL9L, BCL6 TRPM8 4013/4885ALDH1A1 1217/4885GLA 1983/4885
US-20180179232-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 TRPM8 4013/4885ALDH1A1 1217/4885GLA 1983/4885

“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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