SCHEMBL1156446

SCHEMBL1156446

Cc1c(C(=O)O)n(S(=O)(=O)c2ccccc2)c2ccc(S(=O)(=O)N3CCCCCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ IL1RN P18510 1/20 0.49
▸ TP53 P04637 3/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ LMNA P02545 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ADRB2 P07550 1/20 0.46

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
SCHEMBL1156480 0.88 KMT2A (0.56) MAPTALDH1A1LMNATSHRNPSR1
SCHEMBL1155912 0.84 HPGD (0.56) MAPTTP53ALDH1A1LMNATSHR
SCHEMBL8276832 0.80 ATM (0.48) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL8277090 0.79 HPGD (0.48) MAPTALDH1A1LMNATHRBNPSR1
SCHEMBL8275677 0.79 ALDH1A1 (0.49) MAPTTP53ALDH1A1LMNATHRB
SCHEMBL18422708 0.76 PPARG (0.49) ALDH1A1CYP3A4
SCHEMBL1155923 0.76 CCR2 (0.57) MAPTIL1RNTP53ALDH1A1LMNA
SCHEMBL1156398 0.75 L3MBTL1 (0.52) MAPTTP53ALDH1A1TSHRTHRB
SCHEMBL1156648 0.74 ALDH1A1 (0.55) ALDH1A1LMNATSHRTHRBNPSR1
SCHEMBL10445162 0.71 ALDH1A1 (0.85) MAPTTP53ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776106-B1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMA (US) 2013-08-07 — — EP disclosed
EP-1776106-B1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMA (US) 2013-08-07 — — EP disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 — — US disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 — — US disclosed
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-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — 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-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 — — 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-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 — — 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
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 — — US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 — — US 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 MAPT 1243/4885IL1RN 2333/4885TP53 4174/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MAPT 1243/4885IL1RN 2333/4885TP53 4174/4885
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels CACNA1D, ORAI1, CACNA1C MAPT 1243/4885IL1RN 2333/4885TP53 4174/4885

“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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