SCHEMBL3528445

SCHEMBL3528445

CCCNS(=O)(=O)c1cc(C(=O)O)c(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.58
CA9 Q16790 4/20 0.58
CISD1 Q9NZ45 3/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.39
FABP4 P15090 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.38
POLB P06746 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL13614232 0.89 CA12 (0.56) CA12CA9CISD1ATMALDH1A1
SCHEMBL2540297 0.88 CA12 (0.47) CA12CA9ATMALDH1A1FABP4
SCHEMBL3528864 0.87 CA12 (0.55) CA12CA9CISD1ATMALDH1A1
SCHEMBL13544519 0.87 CA12 (0.55) CA12CA9CISD1ATMALDH1A1
SCHEMBL13684737 0.87 CA12 (0.47) CA12CA9CISD1ALDH1A1FABP4
SCHEMBL13542944 0.86 CA12 (0.49) CA12CA9ALDH1A1L3MBTL1POLB
SCHEMBL3528018 0.80 FABP4 (0.43) CA12CA9ATMALDH1A1FABP4
SCHEMBL13543496 0.78 CA12 (0.54) CA12CA9ALDH1A1
SCHEMBL3528359 0.77 FABP4 (0.41) ATMALDH1A1FABP4MEN1KMT2A
SCHEMBL3526814 0.77 NPSR1 (0.56) ATMFABP4SLC1A3SLC1A2SLC1A1

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 CA12 4765/4885CA9 4661/4885CISD1 1709/4885

“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.