SCHEMBL3528475

SCHEMBL3528475

O=C(O)c1cc(NS(=O)(=O)C(F)(F)F)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
PTPN1 P18031 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PLA2G1B P04054 1/20 0.45
GAA P10253 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL3528482 0.88 ACLY (0.54) MAPK1SMN1; SMN2EPHX2PTPN1HPGD
SCHEMBL13719780 0.84 MAPK1 (0.52) MAPK1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3532014 0.84 LMNA (0.57) KDM4EMAPTMAPK1SMN1; SMN2MEN1
SCHEMBL13869088 0.83 MAPK1 (0.51) POLBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL29057788 0.81 POLB (0.62) POLBKDM4ETDP1NPC1MAPT
SCHEMBL3527555 0.80 MAPK1 (0.50) MAPK1SMN1; SMN2EPHX2PTPN1CA2
SCHEMBL3524481 0.80 POLB (0.60) POLBKDM4ETDP1NPC1MAPT
SCHEMBL13602140 0.78 MAPK1 (0.55) MAPK1SMN1; SMN2EPHX2PTPN1CA2
SCHEMBL10743123 0.75 SMN1; SMN2 (0.49) KDM4ENPC1MAPTRAB9AMAPK1
SCHEMBL13719527 0.75 EPHX2 (0.55) MAPK1SMN1; SMN2EPHX2PTPN1CA2

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 7 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
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 1541/4885KDM4E 4644/4885TDP1 3136/4885

“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.