SCHEMBL12240914

SCHEMBL12240914

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 14/20 0.60
▸ CYP2C19 P33261 1/20 0.58
▸ RAB9A P51151 1/20 0.54
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CTSL P07711 1/20 0.43
▸ CTSS P25774 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
SCHEMBL13979539 1.00 CTSC (0.60) CTSCCYP2C19RAB9ASLC1A3SLC1A2
SCHEMBL10926520 1.00 CTSC (0.60) CTSCCYP2C19RAB9ASLC1A3SLC1A2
SCHEMBL2712722 0.84 CYP2C19 (0.59) CTSCCYP2C19RAB9ASLC1A3SLC1A2
SCHEMBL288244 0.84 CYP2C19 (0.70) CTSCCYP2C19RAB9ASLC1A3SLC1A2
SCHEMBL43293 0.84 CYP2C19 (0.70) CTSCCYP2C19RAB9ASLC1A3SLC1A2
SCHEMBL9943773 0.84 CYP2C19 (0.59) CTSCCYP2C19RAB9ASLC1A3SLC1A2
SCHEMBL2712724 0.84 CYP2C19 (0.59) CTSCCYP2C19RAB9ASLC1A3SLC1A2
SCHEMBL43292 0.84 CYP2C19 (0.70) CTSCCYP2C19RAB9ASLC1A3SLC1A2
SCHEMBL12219567 0.83 CTSC (0.57) CTSCCYP2C19RAB9ASLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7382497 0.82 CYP2C19 (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2023-11-09 — — US disclosed
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 — — US disclosed
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 — — US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 — — US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 — — US disclosed
US-20110257365-A1 Cyclin Based Inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2011-10-20 — — 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 (5 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-20110257365-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK2AP2 CTSC 784/4885CYP2C19 3069/4885RAB9A 4316/4885
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, SI CTSC 2915/4885CYP2C19 3649/4885RAB9A 3090/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CTSC 2217/4885CYP2C19 3428/4885RAB9A 1044/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CTSC 2217/4885CYP2C19 3428/4885RAB9A 1044/4885
US-20140349996-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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