SCHEMBL171064

SCHEMBL171064

COc1ccccc1-c1nc2c(c(=O)[nH]1)CS(=O)(=O)C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
GUSB P08236 1/20 0.44
HTT P42858 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
PDE5A O76074 4/20 0.42
AURKA O14965 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL10150419 0.80 KDM4E (0.62) FGFR1FGFR2GUSBKDM4EALDH1A1
SCHEMBL129507 0.80 FGFR1 (0.49) FGFR1FGFR2GUSBHTTCSNK2A2
SCHEMBL4148644 0.80 KDM4E (0.66) FGFR1FGFR2GUSBKDM4EALDH1A1
SCHEMBL10150421 0.78 FGFR1 (0.47) FGFR1FGFR2GUSBHTTCSNK2A2
SCHEMBL129916 0.75 TNKS (0.52) FGFR1FGFR2GUSBHTTCSNK2A2
SCHEMBL8299656 0.73 FGFR1 (0.46) FGFR1FGFR2GUSBHTTCSNK2A2
SCHEMBL7959688 0.70 FGFR1 (0.60) FGFR1FGFR2GUSBHTTCSNK2A2
SCHEMBL1084872 0.70 GUSB (0.78) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL29740691 0.70 GUSB (0.78) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL172838 0.70 CLPP (0.50) TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663994-B1 TETRAHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-07 EP disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
WO-2005014558-A1 CONDENSED PYRAMIDINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 FGFR1 4066/4885FGFR2 4164/4885GUSB 3118/4885

“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.