SCHEMBL2985630

SCHEMBL2985630

CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00
ADRB2 P07550 1/20 0.64
HRH1 P35367 1/20 0.64
DRD3 P35462 1/20 0.64
GLP1R P43220 1/20 0.64
FFAR4 Q5NUL3 1/20 0.64
GPR119 Q8TDV5 1/20 0.64

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
SCHEMBL2990626 0.93 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL7088633 0.93 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2994613 0.92 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2988845 0.92 CCR2 (0.86) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2988850 0.92 CCR2 (0.86) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2994059 0.91 CCR2 (0.87) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2984222 0.90 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2993684 0.90 CCR2 (0.83) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2996021 0.89 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R
SCHEMBL2981544 0.89 CCR2 (1.00) CCR2ADRB2HRH1DRD3GLP1R

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 10/4885ADRB2 387/4885HRH1 466/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 CCR2 10/4885ADRB2 363/4885HRH1 415/4885

“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.