SCHEMBL30089229

SCHEMBL30089229

NC(Cc1csc2ccccc12)[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ FABP5 Q01469 3/20 0.38
▸ FABP7 O15540 2/20 0.38
▸ CYP2A6 P11509 2/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ MDM4 O15151 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL2922997 0.83 SLC1A3 (0.42) KMT2AFABP5FABP7EPHX2MDM4
SCHEMBL29036117 0.81 KMT2A (0.45) KMT2AFABP5FABP7EPHX2MDM4
SCHEMBL30182933 0.79 MDM4 (0.51) CTSLCTSSCTSKCASP1MDM4
SCHEMBL29511478 0.79 MDM4 (0.51) CTSLCTSSCTSKCASP1MDM4
SCHEMBL29444635 0.79 MDM4 (0.51) CTSLCTSSCTSKCASP1MDM4
SCHEMBL6790172 0.79 MDM4 (0.51) CTSLCTSSCTSKCASP1MDM4
SCHEMBL799761 0.79 MDM4 (0.51) CTSLCTSSCTSKCASP1MDM4
SCHEMBL3725892 0.79 MDM4 (0.51) CTSLCTSSCTSKCASP1MDM4
SCHEMBL6317064 0.78 CTSL (0.38) KMT2AFABP5FABP7CYP2A6OPRD1
SCHEMBL21411552 0.78 CTSL (0.38) KMT2AFABP5FABP7CYP2A6OPRD1

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-11512096-B2 Seco macrolide compounds SELVITA D.O.O. (HR) 2022-11-29 — — 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-11512096-B2 Seco macrolide compounds SEC61B, SEC16A, SEC61A1 DPP4 345/4885DPP8 782/4885DPP9 685/4885

“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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