SCHEMBL18012238

SCHEMBL18012238

CCCCC[C@H](NC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NOD1 Q9Y239 3/20 0.43
▸ CTSK P43235 4/20 0.41
▸ CCKBR P32239 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36

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
SCHEMBL11977584 0.95 CTSK (0.45) KMT2APOLBL3MBTL1NOD1CTSK
SCHEMBL14079862 0.95 CTSK (0.45) KMT2APOLBL3MBTL1NOD1CTSK
SCHEMBL21992134 0.90 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL11977586 0.89 CTSK (0.40) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL10089716 0.86 PRSS1 (0.40) KMT2APOLBL3MBTL1CTSKCCKBR
SCHEMBL25500375 0.86 PRSS1 (0.40) KMT2APOLBL3MBTL1CTSKCCKBR
SCHEMBL30185954 0.86 CTSK (0.45) NOD1CTSKCTSS
SCHEMBL16374717 0.85 CTSK (0.40) KMT2APOLBNOD1CTSKCTSS
SCHEMBL29762744 0.85 SELL (0.43) CTSKCTSS
SCHEMBL23972673 0.84 GLP1R (0.44) KMT2AL3MBTL1NOD1TDP1P2RY12

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-20160228587-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PROSTATE CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-08-11 — — 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-20160228587-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PROSTATE CANCER KLK3, FOLH1, PSMA1 KMT2A 2358/4885POLB 2629/4885L3MBTL1 4239/4885

“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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