SCHEMBL24977618

SCHEMBL24977618

CC(=O)C(SCc1ccccc1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
EPHX1 P07099 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.44
S100A4 P26447 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL6954426 0.83 PPARG (0.49) PPARGPPARAEPHX1L3MBTL1POLB
SCHEMBL15141726 0.82 L3MBTL1 (0.55) PPARGPPARAEPHX1L3MBTL1POLB
SCHEMBL22609301 0.81 ALDH1A1 (0.48) L3MBTL1POLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL5846955 0.81 CYP2D6 (0.45) EPHX1L3MBTL1POLBSMN1; SMN2CYP2C19
SCHEMBL7080143 0.80 EPHX1 (0.53) EPHX1CYP2C19
SCHEMBL13491150 0.79 EPHX1 (0.56) PPARGPPARAEPHX1L3MBTL1POLB
SCHEMBL7366107 0.78 ALDH1A1 (0.55) L3MBTL1POLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9741106 0.78 PPARG (0.46) PPARGPPARAEPHX1L3MBTL1POLB
SCHEMBL9795681 0.78 PPARG (0.43) PPARGPPARAEPHX1L3MBTL1POLB
SCHEMBL44800 0.76 L3MBTL1 (0.56) PPARGPPARAEPHX1L3MBTL1POLB

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 PPARG 337/4885PPARA 482/4885EPHX1 4443/4885
US-20220267337-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM PPARG 341/4885PPARA 500/4885EPHX1 4262/4885
US-20230151016-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM PPARG 341/4885PPARA 500/4885EPHX1 4262/4885

“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.