SCHEMBL2983131

SCHEMBL2983131

CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 1.00
CYP2D6 P10635 5/20 0.84
KCNH2 Q12809 4/20 0.72
CCR5 P51681 1/20 0.70

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
Trifluoroacetic Acid SCHEMBL2987103 0.97 CCR2 (0.94) CCR2CYP2D6KCNH2CCR5
SCHEMBL2989893 0.93 CCR2 (1.00) CCR2CYP2D6KCNH2
SCHEMBL2988733 0.93 CCR2 (1.00) CCR2CYP2D6KCNH2
SCHEMBL2988732 0.93 CCR2 (1.00) CCR2CYP2D6KCNH2
SCHEMBL2986721 0.92 CCR2 (0.88) CCR2CYP2D6KCNH2CCR5
SCHEMBL2986725 0.92 CCR2 (0.88) CCR2CYP2D6KCNH2CCR5
SCHEMBL5855178 0.91 CCR2 (0.85) CCR2CYP2D6KCNH2CCR5
SCHEMBL2983573 0.91 CCR2 (0.85) CCR2CYP2D6KCNH2CCR5
SCHEMBL2985641 0.91 CCR2 (0.87) CCR2CYP2D6KCNH2CCR5
SCHEMBL2985637 0.91 CCR2 (0.87) CCR2CYP2D6KCNH2CCR5

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-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US claimed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US claimed
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 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 (2 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-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 CCR2 10/4885CYP2D6 3042/4885KCNH2 3275/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 CCR2 10/4885CYP2D6 3096/4885KCNH2 2992/4885

“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.