SCHEMBL7595106

SCHEMBL7595106

O=S(=O)(Nc1ccc2c(c1)OCO2)c1cncn1-c1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ PKM P14618 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MAPT P10636 9/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HSP90AA1 P07900 2/20 0.46
▸ HSP90AB1 P08238 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ USP2 O75604 3/20 0.46

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
SCHEMBL7595210 0.84 KDM4E (0.47) HPGDPKMHSD17B10MAPTMEN1
SCHEMBL7592533 0.81 HPGD (0.44) HPGDPKMHSD17B10MAPTMEN1
SCHEMBL7589681 0.78 MEN1 (0.44) HPGDPKMMAPTMEN1KMT2A
SCHEMBL7591276 0.78 MEN1 (0.46) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL7588771 0.76 MEN1 (0.45) HPGDPKMMAPTMEN1KMT2A
SCHEMBL7590818 0.76 PKM (0.43) PKMMAPTMEN1KMT2AKDM4E
SCHEMBL7590558 0.76 FFAR4 (0.39) HPGDPKMMEN1KMT2AKDM4E
SCHEMBL7591325 0.75 HPGD (0.47) HPGDPKMHSD17B10MAPTMEN1
SCHEMBL7591084 0.73 HPGD (0.47) HPGDPKMHSD17B10MAPTMEN1
SCHEMBL16205817 0.72 GAA (0.44) HPGDPKMMEN1KMT2ALMNA

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 HPGD 1018/4885PKM 6/4885HSD17B10 1540/4885
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 HPGD 934/4885PKM 10/4885HSD17B10 1454/4885
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 HPGD 1018/4885PKM 6/4885HSD17B10 1540/4885

“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.

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