SCHEMBL7590244

SCHEMBL7590244

COc1cc(C)cc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.60
ALDH1A1 P00352 5/20 0.57
MAPT P10636 8/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 4/20 0.53
HTT P42858 4/20 0.53
POLB P06746 3/20 0.53
NPSR1 Q6W5P4 4/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MDM2 Q00987 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
HPGD P15428 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
SCHEMBL7604013 0.94 PKM (0.64) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7606066 0.93 PKM (0.62) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7589339 0.92 PKM (0.67) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7591175 0.90 PKM (0.65) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7594390 0.89 PKM (0.64) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL16205810 0.89 PKM (0.60) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7589950 0.86 MAPT (0.52) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7589384 0.86 PKM (0.67) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7590282 0.84 ALDH1A1 (0.67) PKMALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7593840 0.84 ALDH1A1 (0.67) PKMALDH1A1MAPTSMN1; SMN2LMNA

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-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-9657004-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-05-23 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-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 (3 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 PKM 6/4885ALDH1A1 1387/4885MAPT 3460/4885
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 PKM 10/4885ALDH1A1 1240/4885MAPT 3834/4885
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 PKM 6/4885ALDH1A1 1387/4885MAPT 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.