SCHEMBL3525503

SCHEMBL3525503

CNS(=O)(=O)c1ccc(C(=O)O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ WDR5 P61964 2/20 0.46
▸ ITGA1 P56199 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GSTO1 P78417 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43

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
SCHEMBL11026357 0.87 POLB (0.65) POLBHSD17B10L3MBTL1SMN1; SMN2KMT2A
SCHEMBL3523438 0.84 NPSR1 (0.61) TSHRPOLBHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL15001075 0.81 CYP1A2 (0.47) POLBHSD17B10KMT2AKDM4EMAPK1
SCHEMBL11894500 0.81 ALKBH2 (0.49) TSHRPOLBHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL28669838 0.81 TSHR (0.57) TSHRPOLBHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL3524965 0.80 CA12 (0.54) TSHRPOLBHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL30315798 0.79 TSHR (0.59) TSHRPOLBHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL7191187 0.79 TSHR (0.59) TSHRPOLBHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL3158500 0.79 TSHR (0.59) TSHRPOLBHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL3528220 0.78 HDAC8 (0.52) TSHRPOLBHSD17B10L3MBTL1ITGA1

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 TSHR 2546/4885POLB 1541/4885HSD17B10 3023/4885

“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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