SCHEMBL23326573

SCHEMBL23326573

COc1ccc(CN2C(=O)[C@H]3CC(O)[C@@H]2[C@@H]3Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CMA1 P23946 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
CYP3A4 P08684 1/20 0.40
MMP1 P03956 3/20 0.39
MMP9 P14780 3/20 0.39
TSHR P16473 1/20 0.39
MMP3 P08254 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22645701 1.00 GSK3A (0.43) GSK3AGSK3BCMA1KDM4EHKDC1
SCHEMBL28546448 0.82 PDE4A (0.41) CMA1MEN1KMT2APDE4APDE4B
SCHEMBL22645707 0.82 MEN1 (0.40) CMA1KDM4EMEN1KMT2APDE4A
SCHEMBL22645706 0.82 MEN1 (0.40) CMA1KDM4EMEN1KMT2APDE4A
SCHEMBL23699852 0.81 HCRTR1 (0.39) GSK3AGSK3BCMA1KDM4EHKDC1
SCHEMBL20833765 0.78 CMA1 (0.45) GSK3AGSK3BCMA1KDM4EHKDC1
SCHEMBL34468997 0.78 CMA1 (0.45) GSK3AGSK3BCMA1KDM4EHKDC1
SCHEMBL34469158 0.78 CMA1 (0.45) GSK3AGSK3BCMA1KDM4EHKDC1
SCHEMBL23699866 0.78 CMA1 (0.42) GSK3AGSK3BCMA1KDM4EHKDC1
SCHEMBL23706935 0.78 CMA1 (0.42) GSK3AGSK3BCMA1KDM4EHKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331006-B2 Process for the synthesis of (s) 3-amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid NORTHWESTERN UNIVERSITY (US) 2025-06-17 US claimed
US-20210139412-A1 PROCESS FOR THE SYNTHESIS OF (S) 3-AMINO-4-(DIFLUOROMETHYLENYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID NORTHWESTERN UNIVERSITY 2021-05-13 US claimed

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-20210139412-A1 PROCESS FOR THE SYNTHESIS OF (S) 3-AMINO-4-(DIFLUOROMETHYLENYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID SULT1E1, QPCT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GSK3A 3427/4885GSK3B 3936/4885CMA1 135/4885
US-12331006-B2 Process for the synthesis of (s) 3-amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid SULT1E1, QPCT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GSK3A 3427/4885GSK3B 3936/4885CMA1 135/4885

“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.