SCHEMBL3529751

SCHEMBL3529751

COC(=O)c1cccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
SDHB P21912 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MAPT P10636 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
RORC P51449 1/20 0.42
TSHR P16473 1/20 0.42
TCF4 P15884 2/20 0.42
CTNNB1 P35222 2/20 0.42
RAB9A P51151 2/20 0.41
NOTUM Q6P988 1/20 0.41
CETP P11597 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL2202018 0.82 MEN1 (0.43) POLBCA12CA1CA2CA9
SCHEMBL28275103 0.75 TSHR (0.50) POLBCA12CA1CA2CA9
SCHEMBL3530391 0.75 PDK2 (0.42) POLBTSHRRAB9AALDH1A1KDM4E
SCHEMBL30444224 0.75 KDM4E (0.58) POLBLOXL2MAPTCYP4F2CYP4A11
SCHEMBL19633270 0.75 TSHR (0.53) POLBCA12CA1CA2CA9
SCHEMBL641703 0.75 KDM4E (0.58) POLBLOXL2MAPTCYP4F2CYP4A11
SCHEMBL28747778 0.75 POLB (0.51) POLBSDHBCA12CA1CA2
SCHEMBL6466136 0.75 NOTUM (0.42) POLBSDHBCA12CA1CA2
SCHEMBL5435147 0.75 POLB (0.55) POLBCA12CA1CA2CA9
SCHEMBL28667831 0.75 POLB (0.51) POLBSDHBCA12CA1CA2

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
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
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO 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 POLB 1541/4885SDHB 3821/4885CA12 4765/4885

“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.