SCHEMBL3765038

SCHEMBL3765038

Cc1cc(OS(=O)(=O)C(F)(F)F)cc(C)c1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CXCR2 P25025 2/20 0.35
GRM6 O15303 1/20 0.35
HSD11B1 P28845 1/20 0.35
CXCR1 P25024 1/20 0.35
F11 P03951 1/20 0.34
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL10073218 0.84 CYP3A4 (0.49) CXCR2HSD11B1CXCR1CYP3A4HPGD
SCHEMBL3829429 0.82 CYP3A4 (0.41) CXCR2HSD11B1CXCR1CYP3A4HPGD
SCHEMBL2380488 0.81 HSD11B1 (0.44) CXCR2HSD11B1CXCR1CYP3A4HPGD
SCHEMBL29499587 0.80 POLB (0.38) CXCR2HSD11B1CXCR1CYP3A4HPGD
SCHEMBL3843634 0.75 CA12 (0.51) CXCR2HSD11B1CXCR1CA12CA1
SCHEMBL10073222 0.75 CXCR2 (0.40) CXCR2HSD11B1CXCR1CA1CA2
SCHEMBL27909943 0.75 CYP2C9 (0.56) CYP2C9CYP2C19NPSR1GRM6CYP3A4
SCHEMBL2958146 0.74 CYP2C9 (0.42) CYP2C9CYP2C19NPSR1GRM6CYP3A4
SCHEMBL28162652 0.74 CXCR2 (0.36) CXCR2HSD11B1CXCR1CYP3A4HPGD
SCHEMBL24296963 0.72 CYP2C9 (0.43) CYP2C9CYP2C19NPSR1GRM6CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CYP2C9 4329/4885CYP2C19 4381/4885NPSR1 154/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CYP2C9 4329/4885CYP2C19 4381/4885NPSR1 154/4885

“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.