SCHEMBL16049705

SCHEMBL16049705

CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(N)c2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
HPGD P15428 5/20 0.56
RECQL P46063 1/20 0.56
IKBKB O14920 1/20 0.56
LMNA P02545 2/20 0.56
NHERF1 O14745 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKLR P30613 1/20 0.52
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL16051013 0.82 SMN1; SMN2 (0.61) CA1CA2HPGDRECQLIKBKB
SCHEMBL16049773 0.82 ALDH1A1 (0.70) CA1CA2HPGDRECQLIKBKB
SCHEMBL16049564 0.81 PTK2B (0.58) CA1CA2IKBKBALDH1A1TSHR
SCHEMBL4565254 0.77 IKBKB (0.67) CA1CA2HPGDRECQLIKBKB
Hydrazine SCHEMBL28785858 0.74 CA1 (0.75) CA1CA2HPGDRECQLLMNA
SCHEMBL4753529 0.73 HPGD (1.00) CA1CA2HPGDRECQLLMNA
SCHEMBL7782225 0.73 NHERF1 (0.76) CA1CA2HPGDRECQLLMNA
SCHEMBL10420649 0.73 NHERF1 (0.80) CA1CA2HPGDRECQLLMNA
SCHEMBL16050977 0.73 PKLR (0.57) CA1CA2HPGDRECQLIKBKB
SCHEMBL27929690 0.72 CA1 (0.73) CA1CA2HPGDRECQLLMNA

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
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
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-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2016-02-18 US disclosed
EP-2970189-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2016-01-20 EP 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-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-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
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 (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-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 CA1 3092/4885CA2 1830/4885HPGD 495/4885
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 CA1 3028/4885CA2 2105/4885HPGD 450/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 CA1 3028/4885CA2 2105/4885HPGD 450/4885

“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.