SCHEMBL18477610

SCHEMBL18477610

CCNCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSB P07858 1/20 0.49
▸ OPRD1 P41143 8/20 0.47
▸ OPRM1 P35372 7/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ REN P00797 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ CTSK P43235 2/20 0.45
▸ PSMB5 P28074 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MMP2 P08253 1/20 0.43

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
SCHEMBL27382220 0.89 OPRD1 (0.51) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL24642302 0.89 CTSS (0.50) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL25751083 0.89 CTSS (0.50) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL27361383 0.87 OPRD1 (0.49) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL18477606 0.87 OPRD1 (0.51) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL26512014 0.87 CTSS (0.46) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL26575093 0.86 CTSS (0.47) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL27101824 0.85 CTSS (0.53) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL24642881 0.85 CTSS (0.46) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL26499164 0.84 CTSB (0.46) CTSSCTSLCTSBOPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 — — WO disclosed
US-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-09 — — 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-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE ERBB2, EGFR, LANCL2 CTSS 1855/4885CTSL 112/4885CTSB 625/4885

“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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