SCHEMBL3527661

SCHEMBL3527661

CCONS(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CISD1 Q9NZ45 10/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL18770112 0.83 CA12 (0.45) ATMTSHRMEN1KMT2ACISD1
SCHEMBL13544492 0.82 ATM (0.57) ATMTSHRMEN1KMT2ACISD1
SCHEMBL13544474 0.80 APP (0.50) ATMTSHRMEN1KMT2ACISD1
SCHEMBL13544519 0.80 CA12 (0.55) ATMTSHRMEN1KMT2ACISD1
SCHEMBL13544476 0.78 KDM4E (0.52) ATMTSHRMEN1KMT2ACISD1
SCHEMBL13544481 0.78 ATM (0.48) ATMTSHRMEN1KMT2ACISD1
SCHEMBL3860957 0.76 EPHX2 (0.45) ATMTSHRMEN1KMT2ACISD1
SCHEMBL7564592 0.75 CISD1 (0.49) ATMTSHRMEN1KMT2ACISD1
SCHEMBL13544479 0.75 ATM (0.51) ATMTSHRMEN1KMT2ACISD1
SCHEMBL3527672 0.74 ATM (0.47) ATMTSHRMEN1KMT2ACISD1

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 4 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
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 ATM 2136/4885TSHR 2546/4885MEN1 4561/4885

“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.

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