SCHEMBL10165503

SCHEMBL10165503

COC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)n2ccc3ccc(Cl)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 8/20 0.41
FLT1 P17948 4/20 0.40
FLT4 P35916 4/20 0.40
KDR P35968 4/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.39
KLKB1 P03952 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL10165430 1.00 F11 (0.41) F11FLT1FLT4KDRTP53
SCHEMBL10165434 0.92 TP53 (0.45) F11FLT1FLT4KDRTP53
SCHEMBL10165454 0.86 KMT2A (0.43) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL4876125 0.86 GPR27 (0.40) FLT1FLT4KDRTP53MAPK1
SCHEMBL10165439 0.86 GPR27 (0.40) FLT1FLT4KDRTP53MAPK1
SCHEMBL4876121 0.86 GPR27 (0.40) FLT1FLT4KDRTP53MAPK1
SCHEMBL1102057 0.81 MEN1 (0.60) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL10165494 0.80 TRAF6 (0.46) FLT1FLT4KDRTP53MAPK1
SCHEMBL10165491 0.77 KMT2A (0.41) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL10165448 0.77 KMT2A (0.41) TP53MEN1KMT2AKDM4EALDH1A1

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-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 US 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 (2 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B F11 3142/4885FLT1 4785/4885FLT4 4714/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B F11 3142/4885FLT1 4785/4885FLT4 4714/4885

“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.