SCHEMBL16049591

SCHEMBL16049591

O=S=Nc1cccc(F)c1N=S=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALB P02768 1/20 0.31
ERN1 O75460 1/20 0.31

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
SCHEMBL9406936 0.69 ALDH1A1 (0.37)
SCHEMBL11918053 0.67 CES2 (0.36) CES2CES1ALBERN1
SCHEMBL835486 0.64 CES2 (0.42) CES2CES1ALBERN1
SCHEMBL5606633 0.64 ERN1 (0.35) CES2CES1ERN1
SCHEMBL38659149 0.63 ALDH1A1 (0.43) CES2CES1ALBERN1
SCHEMBL4081893 0.63 CES2 (0.39) CES2CES1ALBERN1
SCHEMBL9630070 0.62 CYP3A4 (0.52) CES2CES1
SCHEMBL30625397 0.62 CYP3A4 (0.52) CES2CES1
SCHEMBL17372822 0.62 MEN1 (0.40)
SCHEMBL9636666 0.62 LMNA (0.48) CES2CES1

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 14 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
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-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
WO-2014139325-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

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 CES2 1570/4885CES1 300/4885ALB 3577/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 CES2 1570/4885CES1 300/4885ALB 3577/4885

“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.