SCHEMBL4424561

SCHEMBL4424561

COC(=O)C(CCN[C@H]1CCC2(C[C@H]1CS(=O)(=O)c1ccccc1)OCCO2)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.39
MMP13 P45452 4/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
C5AR1 P21730 3/20 0.34
CCR2 P41597 3/20 0.34
ALDH1A1 P00352 3/20 0.33
ANPEP P15144 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP7 P09237 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4424562 1.00 MMP2 (0.39) MMP2MMP13MMP1MMP3C5AR1
SCHEMBL5033781 0.77 CCR2 (0.42) CCR2
SCHEMBL4412540 0.77 ALDH1A1 (0.41) ALDH1A1POLBTSHRRECQLESR2
SCHEMBL4412545 0.77 ALDH1A1 (0.41) ALDH1A1POLBTSHRRECQLESR2
SCHEMBL4415326 0.72 MMP2 (0.44) MMP2CCR2ALDH1A1ANPEPPOLB
SCHEMBL2994267 0.71 CPB1 (0.38) MMP2MMP13MMP1MMP3ALDH1A1
SCHEMBL2994272 0.71 CPB1 (0.38) MMP2MMP13MMP1MMP3ALDH1A1
SCHEMBL2994264 0.71 CPB1 (0.38) MMP2MMP13MMP1MMP3ALDH1A1
SCHEMBL5854162 0.71 CCR2 (0.39) MMP13CCR2ALDH1A1TSHRCYP2C9
SCHEMBL5854166 0.71 CCR2 (0.39) MMP13CCR2ALDH1A1TSHRCYP2C9

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-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 MMP2 268/4885MMP13 421/4885MMP1 145/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 MMP2 328/4885MMP13 477/4885MMP1 136/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 MMP2 268/4885MMP13 421/4885MMP1 145/4885

“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.