SCHEMBL4422761

SCHEMBL4422761

Cc1ccc(S(=O)(=O)C[C@@H]2CC(=O)CC[C@@H]2N2CC[C@H](NC(=O)OCc3ccccc3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.46
KCNH2 Q12809 4/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
NAAA Q02083 1/20 0.41
CTSK P43235 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6261850 0.84 CCR2 (0.51) CCR2KCNH2CASP3CTSK
SCHEMBL3250376 0.84 CASP3 (0.47) MEN1KMT2ACASP3NAAACTSK
SCHEMBL4416820 0.84 CCR2 (0.47) CCR2KCNH2MEN1KMT2ACTSK
SCHEMBL4416824 0.84 CCR2 (0.47) CCR2KCNH2MEN1KMT2ACTSK
SCHEMBL5030646 0.83 CCR2 (0.42) CCR2KCNH2MEN1KMT2AMAPT
SCHEMBL12156509 0.82 CASP3 (0.45) CASP3CTSK
SCHEMBL13600779 0.82 CASP3 (0.45) CASP3CTSK
SCHEMBL13446212 0.81 CASP3 (0.45) MEN1KMT2ACASP3NAAACTSK
SCHEMBL3625795 0.79 PREP (0.46) CASP3NAAACTSKCA1CA2
SCHEMBL2344340 0.79 PREP (0.46) CASP3NAAACTSKCA1CA2

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
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 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 CCR2 5/4885KCNH2 2551/4885MEN1 2955/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885KCNH2 2315/4885MEN1 2635/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885KCNH2 2551/4885MEN1 2955/4885

“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.