SCHEMBL3705994

SCHEMBL3705994

COc1ccc(NS(=O)(=O)c2cncn2-c2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
LMNA P02545 6/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MDM2 Q00987 1/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 8/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL593085 0.91 MAPT (0.46) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL15542336 0.91 PKM (0.48) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL7602024 0.90 MAPT (0.44) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL594469 0.88 ALDH1A1 (0.49) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL7589950 0.88 MAPT (0.52) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL7594390 0.86 PKM (0.64) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL593814 0.86 PKM (0.48) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL606362 0.86 PKM (0.48) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL7590039 0.85 HSD11B1 (0.53) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL7590530 0.85 ALDH1A1 (0.48) SMN1; SMN2LMNAMAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938259-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-04-10 US disclosed
US-9938259-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-04-10 US disclosed
US-9938259-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-04-10 US disclosed
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-9657004-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-05-23 US disclosed
US-9657004-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-05-23 US disclosed
US-9657004-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-05-23 US disclosed
US-20160052917-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC 2016-02-25 US disclosed
US-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 US disclosed
US-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 US disclosed
US-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 US disclosed
US-8742119-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8742119-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8742119-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-05-17 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 (4 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-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SMN1; SMN2 4384/4885LMNA 2033/4885MAPT 3460/4885
US-20160052917-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SMN1; SMN2 4384/4885LMNA 2033/4885MAPT 3460/4885
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SMN1; SMN2 3566/4885LMNA 1420/4885MAPT 3834/4885
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SMN1; SMN2 4384/4885LMNA 2033/4885MAPT 3460/4885

“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.