SCHEMBL22324973

SCHEMBL22324973

COc1cccc(SC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.53
STS P08842 3/20 0.51
TGFBR1 P36897 2/20 0.50
GPR119 Q8TDV5 5/20 0.48
EPHX2 P34913 1/20 0.48
HTT P42858 1/20 0.47
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
BACE1 P56817 1/20 0.44
GCK P35557 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
ABL2 P42684 1/20 0.44

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
SCHEMBL1809121 0.87 GPR119 (0.50) MEN1KMT2AALDH1A1GPR119GCK
SCHEMBL1810911 0.87 GPR119 (0.50) MEN1KMT2AALDH1A1STSGPR119
SCHEMBL25898980 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1STSTGFBR1
SCHEMBL21626597 0.85 GPR119 (0.62) MEN1KMT2ASTSGPR119GCK
SCHEMBL22324946 0.85 ALDH1A1 (0.64) MEN1KMT2AALDH1A1STSGPR119
SCHEMBL22156939 0.84 GPR119 (0.49) STSGPR119GCK
SCHEMBL16818208 0.84 GPR119 (0.52) MEN1KMT2ASTSGPR119GCK
SCHEMBL3128872 0.83 GPR119 (0.61) MEN1KMT2ASTSGPR119
SCHEMBL4778134 0.83 GPR119 (0.52) MEN1KMT2AALDH1A1STSGPR119
SCHEMBL22174277 0.82 TGFBR1 (0.46) MEN1KMT2AALDH1A1STSTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 MEN1 4869/4885KMT2A 4424/4885ALDH1A1 545/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 MEN1 4869/4885KMT2A 4424/4885ALDH1A1 545/4885

“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.