SCHEMBL3736726

SCHEMBL3736726

CSCCC(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
FOLH1 Q04609 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KLK7 P49862 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL3736721 1.00 RNPEP (0.47) RNPEPCTSSCTSKFOLH1MEN1
SCHEMBL28302088 0.81 CTSS (0.42) RNPEPCTSSCTSKFOLH1MEN1
SCHEMBL2443136 0.80 KMT2A (0.44) CTSSCTSKMEN1KMT2AGAA
SCHEMBL31604 0.80 CHRM1 (0.43) CTSSCTSKMEN1KMT2AGAA
SCHEMBL2443141 0.80 KMT2A (0.44) CTSSCTSKMEN1KMT2AGAA
SCHEMBL9469846 0.80 KLK7 (0.46) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL8764535 0.79 CTSS (0.41) RNPEPCTSSCTSKFOLH1MEN1
SCHEMBL5211511 0.79 NOS1 (0.43) RNPEPCTSSCTSKNOS1NOS3
SCHEMBL11119448 0.79 NOS1 (0.43) RNPEPCTSSCTSKNOS1NOS3
SCHEMBL18884298 0.79 CTSS (0.41) RNPEPCTSSCTSKFOLH1MEN1

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 9 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
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO 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 RNPEP 907/4885CTSS 1594/4885CTSK 1532/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 RNPEP 907/4885CTSS 1594/4885CTSK 1532/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 RNPEP 907/4885CTSS 1594/4885CTSK 1532/4885

“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.