SCHEMBL7594399

SCHEMBL7594399

Cc1cc(NS(=O)(=O)c2cccn2-c2ncccc2Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MALT1 Q9UDY8 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ STAT5A P42229 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL7591091 0.90 MALT1 (0.47) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL7587587 0.85 ALDH1A1 (0.42) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL7588763 0.85 ALDH1A1 (0.44) PKMALDH1A1SMN1; SMN2MALT1MAPT
SCHEMBL7587648 0.84 MEN1 (0.47) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL7590326 0.83 PKM (0.63) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL7590676 0.80 PKM (0.39) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL7591084 0.78 HPGD (0.47) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL19421416 0.78 PKM (0.40) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL7591250 0.75 PKM (0.65) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL7594002 0.75 PKM (0.65) MEN1KMT2APKMALDH1A1SMN1; SMN2

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 12 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-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-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-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 (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 MEN1 3892/4885KMT2A 625/4885PKM 6/4885
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 MEN1 3936/4885KMT2A 880/4885PKM 10/4885
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 MEN1 3892/4885KMT2A 625/4885PKM 6/4885

“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.

Send feedback