SCHEMBL3731322

SCHEMBL3731322

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
KLK5 Q9Y337 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL3731327 1.00 LMNA (0.34) LMNAKLK5TSHRL3MBTL1ALDH1A1
SCHEMBL3731321 1.00 LMNA (0.34) LMNAKLK5TSHRL3MBTL1ALDH1A1
SCHEMBL3731324 1.00 LMNA (0.34) LMNAKLK5TSHRL3MBTL1ALDH1A1
SCHEMBL3744132 0.82 FFAR4 (0.33)
SCHEMBL3744136 0.82 FFAR4 (0.33)
SCHEMBL3744127 0.82 FFAR4 (0.33)
SCHEMBL3734755 0.82 ALDH1A1 (0.36) LMNAKLK5TSHRL3MBTL1ALDH1A1
SCHEMBL3734757 0.82 ALDH1A1 (0.36) LMNAKLK5TSHRL3MBTL1ALDH1A1
SCHEMBL3743733 0.73 MMP2 (0.35) LMNA
SCHEMBL3743728 0.73 MMP2 (0.35) LMNA

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-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 LMNA 4468/4885KLK5 2765/4885TSHR 851/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 LMNA 4468/4885KLK5 2765/4885TSHR 851/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 LMNA 4468/4885KLK5 2765/4885TSHR 851/4885

“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.