SCHEMBL31277239

SCHEMBL31277239

CCCC[C@@H](COC(=O)N(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.48
CACNA1B Q00975 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
CA9 Q16790 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
SCHEMBL21712199 1.00 CTSK (0.48) CTSKCACNA1BPPARGPPARAALDH1A1
SCHEMBL20211085 0.91 CTSK (0.41) CTSKPPARGPPARAHDAC3HDAC1
SCHEMBL29627340 0.91 CTSK (0.41) CTSKPPARGPPARAHDAC3HDAC1
SCHEMBL6122543 0.90 CTSK (0.52) CTSKHDAC3HDAC1HDAC2NCOR2
SCHEMBL6122539 0.90 CTSK (0.52) CTSKHDAC3HDAC1HDAC2NCOR2
SCHEMBL6122546 0.90 CTSK (0.52) CTSKHDAC3HDAC1HDAC2NCOR2
SCHEMBL20211087 0.89 CTSK (0.48) CTSKCACNA1BPPARGPPARAHDAC3
SCHEMBL17009235 0.89 CTSK (0.48) CTSKCACNA1BPPARGPPARAHDAC3
SCHEMBL6122464 0.86 CA1 (0.41) CTSKPPARGPPARAALDH1A1MAPT
SCHEMBL20211111 0.84 CTSK (0.43) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12201686-B2 Compositions including a therapeutic antibodies and/or a checkpoint inhibitor and an integrin activating compound 7 HILLS PHARMA INC. (US) 2025-01-21 US claimed

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-12201686-B2 Compositions including a therapeutic antibodies and/or a checkpoint inhibitor and an integrin activating compound CD47, CD274, ITGB1 CTSK 2225/4885CACNA1B 3649/4885PPARG 1764/4885

“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.