SCHEMBL1156398

SCHEMBL1156398

NC(=O)c1c(C(=O)OCc2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccc(S(=O)(=O)N3CCCCCC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ GAA P10253 2/20 0.47
▸ POLB P06746 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1156446 0.75 MAPT (0.49) POLBALDH1A1MAPTMEN1TSHR
SCHEMBL1648022 0.69 POLB (0.65) POLBALDH1A1MEN1TSHRKMT2A
SCHEMBL1647434 0.68 KMT2A (0.63) POLBALDH1A1MEN1TSHRKMT2A
SCHEMBL1155923 0.67 CCR2 (0.57) POLBALDH1A1MAPTMEN1TSHR
SCHEMBL1156395 0.67 TP53 (0.65) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL14507610 0.66 GAA (1.00) L3MBTL1GAAALDH1A1MAPTMEN1
SCHEMBL10064223 0.66 TGM2 (0.70) GAAPOLBALDH1A1MEN1TSHR
SCHEMBL27867185 0.66 GAA (0.65) GAAPOLBMAPK1ALDH1A1MAPT
SCHEMBL2744997 0.66 USP2 (0.69) GAAPOLBMAPK1ALDH1A1MAPT
SCHEMBL2994061 0.65 GAA (0.63) L3MBTL1GAAALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 — — US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 — — US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 — — US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 — — US disclosed
EP-1776106-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-04-25 — — EP disclosed
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 — — US disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 — — 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 (3 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-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C L3MBTL1 3470/4885GAA 3479/4885POLB 4878/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C L3MBTL1 3470/4885GAA 3479/4885POLB 4878/4885
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels CACNA1D, ORAI1, CACNA1C L3MBTL1 3470/4885GAA 3479/4885POLB 4878/4885

“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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