SCHEMBL24978320

SCHEMBL24978320

O=C(O)[C@@H](CO)c1cccc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.49
CES1 P23141 5/20 0.49
BCHE P06276 1/20 0.42
CNR2 P34972 1/20 0.38
GLS O94925 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALB P02768 1/20 0.36
GAA P10253 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL24978371 1.00 CES2 (0.49) CES2CES1BCHECNR2GLS
SCHEMBL23886713 0.87 CNR2 (0.46) CES2CES1CNR2MEN1KMT2A
SCHEMBL23886715 0.87 CNR2 (0.46) CES2CES1CNR2MEN1KMT2A
SCHEMBL30370725 0.87 CNR2 (0.46) CES2CES1CNR2MEN1KMT2A
SCHEMBL24977455 0.84 MEN1 (0.47) CES2CES1BCHECNR2ITGB2
SCHEMBL17080012 0.82 CYP2C19 (0.54) CES2CES1BCHECNR2GLS
SCHEMBL4418499 0.77 CES2 (0.51) CES2CES1BCHECNR2GLS
SCHEMBL6491103 0.77 CES2 (0.51) CES2CES1BCHEMEN1KMT2A
SCHEMBL1668558 0.77 CES2 (0.66) CES2CES1BCHECNR2GLS
SCHEMBL23972274 0.77 CES2 (0.66) CES2CES1BCHECNR2GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-18 US disclosed
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-18 US disclosed
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-18 US disclosed
US-11566030-B2 Substituted 2,6-dihydropyrrolo[3,4-c]pyrazoles as pyruvate kinase activators GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-01-31 US disclosed
US-11566030-B2 Substituted 2,6-dihydropyrrolo[3,4-c]pyrazoles as pyruvate kinase activators GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-01-31 US disclosed
US-20220267337-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-08-25 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-11566030-B2 Substituted 2,6-dihydropyrrolo[3,4-c]pyrazoles as pyruvate kinase activators PDK1, PDK2, PDK3 CES2 4663/4885CES1 3759/4885BCHE 4709/4885
US-20220267337-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM CES2 4622/4885CES1 3293/4885BCHE 4545/4885
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM CES2 4622/4885CES1 3293/4885BCHE 4545/4885

“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.