SCHEMBL3527799

SCHEMBL3527799

COC(=O)c1ccc(CNS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.55
CA1 P00915 5/20 0.52
POLB P06746 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
CYP4A11 Q02928 2/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NAMPT P43490 1/20 0.46
CYP4F2 P78329 1/20 0.45
CA7 P43166 1/20 0.44
PTPRB P23467 1/20 0.44
PPARA Q07869 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3368478 0.83 POLB (0.56) CA2CA1POLBLOXL2HPGD
SCHEMBL27621285 0.83 KMT2A (0.63) CA2POLBHPGDKMT2APPARA
Hydrochloric Acid SCHEMBL3528013 0.81 KMT2A (0.61) CA2POLBHPGDKMT2APPARA
SCHEMBL2837637 0.81 KMT2A (0.70) CA2CA1POLBLOXL2HPGD
SCHEMBL17953163 0.80 CA2 (0.56) CA2CA1POLBLMNAKMT2A
SCHEMBL7229624 0.80 HPGD (0.61) CA2CA1POLBLOXL2HPGD
SCHEMBL141067 0.77 CA2 (0.65) CA2CA1LMNAKMT2ACA12
SCHEMBL3439451 0.77 POLB (0.53) CA2CA1POLBLOXL2HPGD
SCHEMBL3644355 0.77 HPGD (0.60) CA2CA1POLBLOXL2HPGD
SCHEMBL7526116 0.76 HPGD (0.61) CA2CA1POLBHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 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 (1 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 CA2 4267/4885CA1 4808/4885POLB 1541/4885

“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.