SCHEMBL3743728

SCHEMBL3743728

CSCC[C@H](N)C(=O)N[C@H]1CC[C@@H](NC(=O)O)C[C@H]1CS(=O)(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.35
LMNA P02545 2/20 0.34
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
SMYD3 Q9H7B4 3/20 0.33
BLM P54132 1/20 0.32

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
SCHEMBL3743733 1.00 MMP2 (0.35) MMP2LMNAARG1ARG2SMYD3
SCHEMBL3747184 0.88 ARG1 (0.36) MMP2LMNAARG1ARG2SMYD3
SCHEMBL3747188 0.88 ARG1 (0.36) MMP2LMNAARG1ARG2SMYD3
SCHEMBL5029532 0.74 CCR2 (0.34) SMYD3
SCHEMBL3731327 0.73 LMNA (0.34) LMNA
SCHEMBL3731322 0.73 LMNA (0.34) LMNA
SCHEMBL3731324 0.73 LMNA (0.34) LMNA
SCHEMBL3731321 0.73 LMNA (0.34) LMNA
SCHEMBL5767379 0.73 SMYD3 (0.40) SMYD3
SCHEMBL3736908 0.73 SMYD3 (0.40) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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 (3 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 MMP2 253/4885LMNA 4468/4885ARG1 80/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 MMP2 253/4885LMNA 4468/4885ARG1 80/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 MMP2 253/4885LMNA 4468/4885ARG1 80/4885

“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.