SCHEMBL16084023

SCHEMBL16084023

N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(Cc4ccccc4)CC3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 15/20 0.78
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ AR P10275 1/20 0.51

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
SCHEMBL16083997 0.91 PKLR (0.77) PKLR
SCHEMBL15713675 0.90 PKLR (0.63) PKLRALDH1A1GAAPKMMAPK1
SCHEMBL16084068 0.87 PKLR (1.00) PKLRALDH1A1GAAPKMMAPK1
SCHEMBL16130053 0.87 PKLR (0.80) PKLRALDH1A1GAAPKMMAPK1
SCHEMBL16083871 0.85 PKLR (0.82) PKLRALDH1A1GAAPKMMAPK1
SCHEMBL21976327 0.84 PKLR (0.55) PKLRALDH1A1GAA
SCHEMBL16083860 0.83 PKLR (0.82) PKLRALDH1A1GAAPKMMAPK1
SCHEMBL21976639 0.82 PKLR (0.52) PKLRALDH1A1SMN1; SMN2
SCHEMBL16083896 0.81 PKLR (1.00) PKLR
SCHEMBL15713609 0.81 PKLR (0.63) PKLRALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 — — US disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 — — US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 — — US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 — — US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 — — US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 — — US disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO 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-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 PKLR 14/4885ALDH1A1 860/4885GAA 249/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 PKLR 14/4885ALDH1A1 860/4885GAA 249/4885

“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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