SCHEMBL4879306

SCHEMBL4879306

CC(C(=O)Nc1ccc(S(=O)(=O)NC(=O)O)cc1)n1ccc2c(F)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL10165505 0.92 POLB (0.46) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL10165487 0.91 MMP2 (0.40) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL4883664 0.90 MMP9 (0.44) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL4944238 0.90 KMT2A (0.43) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL4944245 0.90 KMT2A (0.43) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL4879389 0.90 L3MBTL1 (0.41) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL10165431 0.90 KMT2A (0.43) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL10165458 0.89 SMN1; SMN2 (0.46) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL10165435 0.88 RXFP1 (0.39) MEN1KMT2APOLBALDH1A1
SCHEMBL10165470 0.88 L3MBTL1 (0.39) MEN1KMT2APOLBALDH1A1L3MBTL1

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 4 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-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-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 MEN1 3385/4885KMT2A 2348/4885POLB 4688/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B MEN1 3385/4885KMT2A 2348/4885POLB 4688/4885

“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.