SCHEMBL22645696

SCHEMBL22645696

COc1ccc(CN2C(=O)[C@H]3C=C[C@H]2C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.47
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
GRM2 Q14416 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL34469179 1.00 CMA1 (0.47) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL22645709 1.00 CMA1 (0.47) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL20833763 1.00 CMA1 (0.47) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL22661096 1.00 CMA1 (0.47) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL34469032 0.80 EHMT2 (0.50) CMA1MEN1KMT2AALDH1A1
SCHEMBL22518781 0.80 EHMT2 (0.50) CMA1MEN1KMT2AALDH1A1
SCHEMBL22493942 0.80 EHMT2 (0.50) CMA1MEN1KMT2AALDH1A1
SCHEMBL25402036 0.75 CMA1 (0.45) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL17360678 0.72 EHMT2 (0.61) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL17360659 0.72 CMA1 (0.56) CMA1GSK3AGSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4410773-A2 PROCESS FOR THE SYNTHESIS OF (S) 3-AMINO-4-(DIFLUOROMETHYLENYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID Northwestern University (US) 2024-08-07 EP disclosed
EP-3784649-B1 PROCESS FOR THE SYNTHESIS OF (S)-3-AMINO-4-(DIFLUOROMETHYLENYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID UNIV NORTHWESTERN (US) 2024-07-31 EP disclosed
CN-117550990-A Process for the synthesis of (S) -3-amino-4- (difluoromethylene) cyclopent-1-ene-1-carboxylic acid 西北大学 2024-02-13 CN disclosed
CN-117550991-A Process for the synthesis of (S) -3-amino-4- (difluoromethylene) cyclopent-1-ene-1-carboxylic acid 西北大学 2024-02-13 CN disclosed
CN-112513006-B Process for the synthesis of (S) -3-amino-4- (difluoromethylene) cyclopent-1-ene-1-carboxylic acid 西北大学 2023-10-31 CN disclosed
CN-112513006-A Process for the synthesis of (S) -3-amino-4- (difluoromethylene) cyclopent-1-ene-1-carboxylic acid 西北大学 2021-03-16 CN disclosed
US-10836708-B2 Process for the synthesis of (s) 3-amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid NORTHWESTERN UNIVERSITY (US) 2020-11-17 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 (1 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-10836708-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 CMA1 135/4885GSK3A 3427/4885GSK3B 3936/4885

“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.