SCHEMBL24668490

SCHEMBL24668490

N=C(N)NCCC[C@H](N)c1noc(CNC(=O)N2CCC[C@@H]2C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 2/20 0.37
▸ F2 P00734 2/20 0.36
▸ FABP4 P15090 6/20 0.32
▸ FABP5 Q01469 6/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ REN P00797 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
SCHEMBL21168380 0.89 FKBP1A (0.35) FKBP1AF2FABP4FABP5ALDH1A1
SCHEMBL21168295 0.87 ACE (0.41) —
SCHEMBL21168296 0.87 ACE (0.41) —
SCHEMBL21168327 0.87 ACE (0.39) FKBP1AFABP4FABP5ALDH1A1CYP3A4
SCHEMBL21168286 0.86 ACE (0.40) —
SCHEMBL21168276 0.86 ACE (0.35) FKBP1AF2FABP4FABP5ALDH1A1
SCHEMBL21168332 0.86 ACE (0.35) FKBP1AF2FABP4FABP5ALDH1A1
SCHEMBL21168279 0.85 ACE (0.43) FKBP1AFABP4FABP5ALDH1A1CYP3A4
SCHEMBL21168328 0.85 ACE (0.43) FKBP1AFABP4FABP5ALDH1A1CYP3A4
SCHEMBL21168289 0.85 FABP4 (0.32) FKBP1AFABP4FABP5DPP4THRB

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-20220241248-A1 COMBINATION OF SMALL MOLECULE CD-47 INHIBITORS WITH OTHER ANTI-CANCER AGENTS AURIGENE ONCOLOGY LIMITED (IN) 2022-08-04 — — 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 (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-20220241248-A1 COMBINATION OF SMALL MOLECULE CD-47 INHIBITORS WITH OTHER ANTI-CANCER AGENTS CD47, CD63, CD99 FKBP1A 2991/4885F2 4779/4885FABP4 4619/4885

“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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