SCHEMBL3873997

SCHEMBL3873997

NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(SCc3ccc(F)cc3Cl)nc3ccsc3c2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.66
▸ RECQL P46063 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ TP53 P04637 2/20 0.45
▸ CA2 P00918 4/20 0.45
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL12791470 0.93 RXFP1 (0.57) RXFP1RECQLALDH1A1MAPK1NPSR1
SCHEMBL30697392 0.83 RXFP1 (0.71) RXFP1RECQLALDH1A1MAPK1NPSR1
SCHEMBL26978421 0.83 RXFP1 (0.71) RXFP1RECQLALDH1A1MAPK1NPSR1
SCHEMBL3872687 0.79 LMNA (0.75) RXFP1RECQLALDH1A1MAPK1NPSR1
SCHEMBL3873519 0.74 CA2 (0.77) RXFP1RECQLALDH1A1MAPK1LMNA
SCHEMBL12847608 0.63 RXFP1 (0.41) RXFP1RECQLLMNATP53CA2
SCHEMBL3867607 0.63 RXFP1 (0.41) RXFP1RECQLLMNATP53CA2
SCHEMBL12713400 0.63 LMNA (0.81) RXFP1RECQLALDH1A1NPSR1LMNA
SCHEMBL4944027 0.62 TP53 (0.45) RXFP1ALDH1A1MAPK1LMNATP53
SCHEMBL3866518 0.61 TP53 (0.70) RXFP1RECQLALDH1A1NPSR1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US claimed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP claimed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO claimed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — 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-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B RXFP1 1755/4885RECQL 2559/4885ALDH1A1 4124/4885

“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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