SCHEMBL21834879

SCHEMBL21834879

COc1cc(C(=O)NC2CCCN(C(=O)OCCl)C2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
OPRK1 P41145 1/20 0.52
TSHR P16473 1/20 0.51
CXCR6 O00574 3/20 0.49
CXCR4 P61073 1/20 0.49
MMP2 P08253 2/20 0.47
ANPEP P15144 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
MCHR1 Q99705 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL21861008 0.88 MAPK1 (0.50) MAPK1OPRK1TSHRCXCR6CXCR4
SCHEMBL24245441 0.86 MAPK1 (0.48) MAPK1OPRK1TSHRCXCR6CXCR4
SCHEMBL21860504 0.85 MAPK1 (0.52) MAPK1OPRK1TSHRCXCR6CXCR4
SCHEMBL21928911 0.84 MAPK1 (0.58) MAPK1OPRK1TSHRMMP2ANPEP
SCHEMBL21834930 0.84 MAPK1 (0.58) MAPK1OPRK1TSHRCXCR6CXCR4
SCHEMBL21860515 0.84 MAPK1 (0.47) MAPK1OPRK1TSHRCXCR6MMP2
SCHEMBL21926859 0.80 CXCR6 (0.58) MAPK1OPRK1CXCR6CXCR4
SCHEMBL21927008 0.80 ALDH1A1 (0.61) MAPK1OPRK1TSHRCXCR6MMP2
SCHEMBL21860513 0.79 MAPK1 (0.46) MAPK1OPRK1TSHRCXCR6CXCR4
SCHEMBL10123862 0.79 TSHR (0.58) MAPK1OPRK1TSHRABCG2MEN1

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-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-02-10 US disclosed
WO-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 WO disclosed
WO-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 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-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR ALG1, NGLY1, SAT1 MAPK1 708/4885OPRK1 3980/4885TSHR 1349/4885

“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.