Sugi Predict

Sugi Predict / Compounds / SCHEMBL24977455

SCHEMBL24977455

SCHEMBL24977455

O=C(O)[C@H](CO)c1cccc(F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.39
▸ CES2 O00748 3/20 0.38
▸ CES1 P23141 3/20 0.38
▸ ITGB2 P05107 2/20 0.36
▸ ICAM1 P05362 2/20 0.36
▸ ITGAL P20701 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ BCHE P06276 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ALB P02768 1/20 0.33

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
SCHEMBL28563997 0.85 MEN1 (0.46) MEN1KMT2AKDM4EITGB2ICAM1
SCHEMBL24978371 0.84 CES2 (0.49) MEN1KMT2AKDM4ECES2CES1
SCHEMBL24978320 0.84 CES2 (0.49) MEN1KMT2AKDM4ECES2CES1
SCHEMBL23886715 0.82 CNR2 (0.46) MEN1KMT2ACES2CES1CNR2
SCHEMBL23886713 0.82 CNR2 (0.46) MEN1KMT2ACES2CES1CNR2
SCHEMBL30370725 0.82 CNR2 (0.46) MEN1KMT2ACES2CES1CNR2
SCHEMBL6366983 0.80 MEN1 (0.47) MEN1KMT2AKDM4EPPARGPPARA
SCHEMBL6366981 0.80 MEN1 (0.47) MEN1KMT2AKDM4EPPARGPPARA
SCHEMBL6366984 0.80 MEN1 (0.47) MEN1KMT2AKDM4EPPARGPPARA
SCHEMBL23973485 0.77 CES2 (0.45) MEN1KMT2AKDM4ECES2CES1

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 MEN1 4625/4885KMT2A 1149/4885KDM4E 1382/4885
US-20220267337-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM MEN1 4414/4885KMT2A 1420/4885KDM4E 1440/4885
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM MEN1 4414/4885KMT2A 1420/4885KDM4E 1440/4885

“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.