SCHEMBL3113689

SCHEMBL3113689

O=C(O)C(Cc1ccccc1)N(C(=O)C1CCCN1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.47
ADAMTS5 Q9UNA0 3/20 0.42
SCN4A P35499 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.37
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
MMP2 P08253 4/20 0.35
MMP9 P14780 3/20 0.35
ADAMTS4 O75173 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD11B1 P28845 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
SCHEMBL3113683 1.00 CTSC (0.47) CTSCADAMTS5SCN4AHTR2CHTR2B
SCHEMBL27565204 0.90 CTSC (0.47) CTSCADAMTS5SCN4AHTR2CHTR2B
SCHEMBL19412232 0.89 CTSC (0.39) CTSCADAMTS5SCN4AHTR2CHTR2B
SCHEMBL7069746 0.87 ADAMTS5 (0.46) ADAMTS5KMT2AMMP9
SCHEMBL6429094 0.86 CTSC (0.37) CTSCADAMTS5SCN4AKMT2A
SCHEMBL7071119 0.83 ADAMTS5 (0.43) CTSCADAMTS5KMT2AMMP9
SCHEMBL16598348 0.83 ITGB1 (0.39) CTSCKMT2A
SCHEMBL19412130 0.82 CTSC (0.37) CTSCSCN4AHTR2CHTR2BKMT2A
SCHEMBL19412214 0.82 CTSC (0.37) CTSCSCN4AHTR2CHTR2B
SCHEMBL16598553 0.80 ROCK2 (0.37) CTSCKMT2A

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
US-8987306-B2 Inhibitors of integrin alpha2beta1 based on prolyl diaminopropionic acid scaffold THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-03-24 US disclosed
US-20100179119-A1 Inhibitors of Integrin Alpha2Beta1 Based on Prolyl Diaminopropionic Acid Scaffold NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-15 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-20100179119-A1 Inhibitors of Integrin Alpha2Beta1 Based on Prolyl Diaminopropionic Acid Scaffold ITGA2B, ITGA2, ITGB2 CTSC 957/4885ADAMTS5 1691/4885SCN4A 941/4885

“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.