SCHEMBL12219567

SCHEMBL12219567

CCC(=O)[C@H](N)Cc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 13/20 0.57
▸ CYP2C19 P33261 1/20 0.54
▸ RAB9A P51151 1/20 0.51
▸ DPP4 P27487 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42

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
SCHEMBL13979539 0.83 CTSC (0.60) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL10926520 0.83 CTSC (0.60) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL12240914 0.83 CTSC (0.60) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL43292 0.81 CYP2C19 (0.70) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL288244 0.81 CYP2C19 (0.70) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL43293 0.81 CYP2C19 (0.70) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL2712722 0.81 CYP2C19 (0.59) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL9943773 0.81 CYP2C19 (0.59) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL2712724 0.81 CYP2C19 (0.59) CTSCCYP2C19RAB9ADPP4DPP8
SCHEMBL20543720 0.81 CTSC (0.55) CTSCCYP2C19RAB9ASLC1A3SLC1A2

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
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 — — US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 — — US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 — — 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 (2 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 CTSC 2354/4885CYP2C19 1343/4885RAB9A 1332/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 CTSC 2374/4885CYP2C19 1171/4885RAB9A 2009/4885

“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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