SCHEMBL3523737

SCHEMBL3523737

O=C(O)c1cc(S(=O)(=O)NC2CC2)c(F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
HPGD P15428 2/20 0.48
TP53 P04637 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CISD1 Q9NZ45 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CA5A P35218 1/20 0.44
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.42

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
SCHEMBL3523355 0.95 EPHX2 (0.59) EPHX2TP53MAPTLMNACA12
SCHEMBL3860957 0.89 EPHX2 (0.45) EPHX2HPGDTP53MAPTLMNA
SCHEMBL3530828 0.87 KMT2A (0.45) EPHX2TP53MAPTLMNAKMT2A
SCHEMBL13542946 0.85 HPGD (0.45) EPHX2HPGDTP53MAPTLMNA
SCHEMBL13545078 0.84 HPGD (0.44) EPHX2HPGDTP53MAPTLMNA
SCHEMBL13544482 0.84 CA12 (0.51) EPHX2TP53MAPTLMNACA12
SCHEMBL13542945 0.81 TP53 (0.49) EPHX2TP53MAPTLMNACA12
SCHEMBL13687163 0.80 TP53 (0.48) EPHX2HPGDTP53MAPTLMNA
SCHEMBL3522811 0.80 ATM (0.50) EPHX2LMNACA12CA1CA2
SCHEMBL13544669 0.80 TP53 (0.45) HPGDTP53MAPTLMNAKMT2A

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 10 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
CN-1744899-A Piperidine derivatives as CCR5 antagonists SMITHKLINE BEECHAM CORP (US) 2006-03-08 CN disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
EP-1470114-A4 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2005-05-11 EP disclosed
EP-1470114-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES Panagene, Inc. (KR) 2004-10-27 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
WO-2003062212-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE, INC. (US) 2003-07-31 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 EPHX2 2752/4885HPGD 473/4885TP53 4593/4885

“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.