SCHEMBL2531765

SCHEMBL2531765

COCCN(CCc1ccc(Br)nc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
ADRB3 P13945 1/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
KCNH2 Q12809 1/20 0.32
MLYCD O95822 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29563667 0.89 SSTR4 (0.44) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL109277 0.89 SSTR4 (0.44) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL12229309 0.88 SSTR4 (0.40) SSTR4ADRB3HDAC1HDAC3HDAC2
SCHEMBL29366016 0.84 KDM4E (0.41) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL6510214 0.77 SSTR4 (0.57) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL6512171 0.76 SSTR4 (0.41) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL23081661 0.76 SSTR4 (0.45) SSTR4ADRB3HDAC1HDAC3HDAC2
SCHEMBL2602372 0.76 SSTR4 (0.40) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL13139733 0.75 ALDH1A1 (0.42) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL18291249 0.75 GABRP (0.40) SSTR4HDAC1HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
EP-2563795-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY MethylGene Inc. (CA) 2013-03-06 EP disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 SSTR4 1885/4885ADRB3 4292/4885HDAC1 3131/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 SSTR4 831/4885ADRB3 2844/4885HDAC1 2261/4885

“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.