SCHEMBL3759016

SCHEMBL3759016

CCc1ccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
GAA P10253 1/20 0.65
MCL1 Q07820 8/20 0.64
TDP2 O95551 2/20 0.64
NSD2 O96028 2/20 0.64
POLB P06746 2/20 0.64
BLM P54132 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
G6PD P11413 1/20 0.64
PKM P14618 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
FSCN1 Q16658 1/20 0.58
EP300 Q09472 3/20 0.57
BRAF P15056 1/20 0.56
ACLY P53396 1/20 0.54
BCL2 P10415 2/20 0.53
BCL2L1 Q07817 2/20 0.53

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
SCHEMBL5309797 0.83 EP300 (0.68) MEN1KMT2AMCL1TDP2NSD2
SCHEMBL13509692 0.80 MCL1 (0.74) MEN1KMT2AGAAMCL1TDP2
SCHEMBL14851473 0.78 MCL1 (1.00) MEN1KMT2AMCL1TDP2NSD2
SCHEMBL13509795 0.78 STAT3 (0.74) MEN1KMT2AGAAMCL1TDP2
SCHEMBL14444625 0.76 MCL1 (0.52) GAAMCL1ALDH1A1PKMNPC1
SCHEMBL13510478 0.76 EP300 (0.68) MEN1KMT2AGAAMCL1TDP2
SCHEMBL3628790 0.76 KMT2A (0.70) MEN1KMT2AGAAMCL1TDP2
SCHEMBL12768396 0.75 KMT2A (0.65) MEN1KMT2AMCL1TDP2POLB
SCHEMBL15521824 0.74 FSCN1 (0.69) MEN1KMT2AGAAMCL1TDP2
SCHEMBL30723346 0.74 FSCN1 (0.69) MEN1KMT2AGAAMCL1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 MEN1 3665/4885KMT2A 3767/4885GAA 812/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 MEN1 3665/4885KMT2A 3767/4885GAA 812/4885

“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.