SCHEMBL20314812

SCHEMBL20314812

O=C(O)CN(C(=O)/C=C/Cl)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADRA2C P18825 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 0.83 CYP3A4 (0.50) TRPM8ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL9405499 0.83 TRPM8 (0.46) TRPM8ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL9716636 0.83 CYP3A4 (0.50) TRPM8ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL9716632 0.83 CYP3A4 (0.50) TRPM8ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL10220933 0.81 TRPM8 (0.69) TRPM8ALDH1A1GLASMN1; SMN2NPC1
SCHEMBL20314815 0.79 TRPM8 (0.43) TRPM8ALDH1A1GLATSHRNPC1
SCHEMBL2992708 0.79 GSTO1 (0.54) TRPM8ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL547256 0.75 ALDH1A1 (0.52) TRPM8ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL11315866 0.74 ALDH1A1 (0.50) ALDH1A1GLATSHRSMN1; SMN2NPC1
SCHEMBL516050 0.73 TRPM8 (0.58) TRPM8ALDH1A1SMN1; SMN2NPC1RAB9A

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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