SCHEMBL1627622

SCHEMBL1627622

CC(=O)NC(Cc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
PAM P19021 1/20 0.58
CTRB1 P17538 5/20 0.54
TACR1 P25103 1/20 0.53
GNPAT O15228 1/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL22427640 0.89 L3MBTL1 (0.50) CTSSCTSKPAMNPSR1NPC1
SCHEMBL683352 0.87 NPSR1 (0.55) CTSSCTSKPAMSCN9ANPSR1
SCHEMBL684246 0.87 NPSR1 (0.55) CTSSCTSKPAMSCN9ANPSR1
SCHEMBL13967231 0.86 CTSS (0.57) CTSSCTSKPAMCTRB1TACR1
SCHEMBL20021566 0.84 ALDH1A1 (0.51) ALDH1A1NPC1RAB9A
SCHEMBL19795788 0.84 PSMB5 (0.54) CTSSLMNAALDH1A1NPSR1NPC1
SCHEMBL22178675 0.84 ALDH1A1 (0.51) ALDH1A1NPC1RAB9A
SCHEMBL8906641 0.84 CTSS (0.52) CTSSCTSKLMNAALDH1A1NPSR1
SCHEMBL8906760 0.84 CTSS (0.52) CTSSCTSKLMNAALDH1A1NPSR1
SCHEMBL20079846 0.84 PSMB5 (0.54) CTSSLMNAALDH1A1NPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376700-B2 Methods of modifying N-termini of a peptide or protein using transferases THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-06-28 US disclosed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US disclosed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US disclosed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 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-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS CTSS 1056/4885CTSK 1261/4885PAM 4716/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS CTSS 1056/4885CTSK 1261/4885PAM 4716/4885

“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.