SCHEMBL9906394

SCHEMBL9906394

CC(C)(C)c1ccc(S(=O)(=O)NC2CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 1/20 0.61
RECQL P46063 1/20 0.61
ALDH1A1 P00352 8/20 0.59
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.51

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
SCHEMBL12169367 0.93 SMN1; SMN2 (0.73) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL12169400 0.93 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL12169393 0.92 SMN1; SMN2 (0.71) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL12061797 0.89 KMT2A (0.58) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL12061693 0.89 KMT2A (0.62) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL12459541 0.87 LMNA (0.58) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL15121358 0.87 KMT2A (0.53) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL12075464 0.85 KMT2A (0.65) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL12062228 0.83 KMT2A (0.59) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL12062225 0.83 KMT2A (0.59) KMT2ASMN1; SMN2KDM4ERECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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 (5 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 KMT2A 2425/4885SMN1; SMN2 1198/4885KDM4E 2537/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 KMT2A 2425/4885SMN1; SMN2 1198/4885KDM4E 2537/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 KMT2A 2207/4885SMN1; SMN2 4746/4885KDM4E 3363/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 KMT2A 1990/4885SMN1; SMN2 975/4885KDM4E 1795/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 KMT2A 2207/4885SMN1; SMN2 4746/4885KDM4E 3363/4885

“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.