SCHEMBL20341256

SCHEMBL20341256

CCC(C)[C@@H](C=O)NC(=O)[C@H]1CCCCN1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.46
▸ XIAP P98170 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PTGER4 P35408 3/20 0.35
▸ PTGER2 P43116 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ DPP4 P27487 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
SCHEMBL19661451 1.00 CTSK (0.46) CTSKXIAPCYP3A4CYP2D6PTGER4
SCHEMBL18426529 0.87 XIAP (0.41) CTSKXIAPDPP4
SCHEMBL13108121 0.85 XIAP (0.40) CTSKXIAPCYP3A4CYP2D6
SCHEMBL20276028 0.83 CTSK (0.40) CTSKXIAPCYP3A4CYP2D6PTGER4
SCHEMBL18541518 0.83 CTSK (0.40) CTSKXIAPCYP3A4CYP2D6PTGER4
SCHEMBL16002512 0.82 CTSK (0.39) CTSKXIAPCYP3A4CYP2D6PTGER4
SCHEMBL19648669 0.82 CTSK (0.39) CTSKXIAPCYP3A4CYP2D6PTGER4
SCHEMBL15739324 0.81 XIAP (0.44) CTSKXIAPCYP3A4CYP2D6PTGER4
SCHEMBL16143195 0.81 XIAP (0.44) CTSKXIAPCYP3A4CYP2D6PTGER4
SCHEMBL19648496 0.81 XIAP (0.44) CTSKXIAPCYP3A4CYP2D6PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838298-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING Purdue Research Foundation (US) 2021-06-23 — — EP disclosed
EP-3831380-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING Purdue Research Foundation (US) 2021-06-09 — — EP disclosed
US-10010618-B2 Methods for treating cancer using combination therapies ENDOCYTE, INC. (US) 2018-07-03 — — 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-10010618-B2 Methods for treating cancer using combination therapies SLC7A11, CXCR2, TPX2 CTSK 535/4885XIAP 41/4885CYP3A4 3409/4885

“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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