SCHEMBL16401330

SCHEMBL16401330

CCCCC=C[C@](C)(N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.49
CYP1A2 P05177 3/20 0.49
BLM P54132 3/20 0.49
HSD17B10 Q99714 3/20 0.49
GMNN O75496 2/20 0.49
USP2 O75604 2/20 0.49
POLB P06746 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
APEX1 P27695 2/20 0.49
RECQL P46063 2/20 0.49
CYP2D6 P10635 1/20 0.49
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
TERT O14746 3/20 0.40
PTPN1 P18031 3/20 0.40
MAPT P10636 2/20 0.40
FABP4 P15090 2/20 0.40
FAAH O00519 2/20 0.40
PPARG P37231 2/20 0.40

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
SCHEMBL16401332 1.00 CYP2C19 (0.49) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL16401654 1.00 CYP2C19 (0.49) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL20680343 0.94 CYP1A2 (0.56) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL19357333 0.94 CYP1A2 (0.56) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL14322640 0.93 CYP1A2 (0.58) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL600897 0.93 CYP1A2 (0.58) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL600896 0.93 CYP1A2 (0.58) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL23534464 0.88 CYP2C19 (0.43) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL366777 0.88 CYP2C19 (0.43) CYP2C19CYP1A2BLMHSD17B10GMNN
SCHEMBL599741 0.88 CYP2C19 (0.43) CYP2C19CYP1A2BLMHSD17B10GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280431-B1 DISRUPTION OF THE WAVE3 PROTEIN COMPLEX FOR SUPPRESSION OF INVASION AND METASTASIS UNIV GEORGIA (US) 2023-11-08 EP disclosed
US-11773146-B2 Disruption of the WAVE3 protein complex for suppression of invasion and metastasis UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2023-10-03 US disclosed
US-20230220019-A1 CHEMICALLY-STABILIZED ALLOSTERIC MODULATORS OF LEUCINERICH REPEAT KINASE 2 (LRRK2) UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2023-07-13 US disclosed
US-20210024595-A1 DISRUPTION OF THE WAVE3 PROTEIN COMPLEX FOR SUPPRESSION OF INVASION AND METASTASIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2021-01-28 US disclosed
US-10822380-B2 Disruption of the WAVE3 protein complex for suppression of invasion and metastasis UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2020-11-03 US disclosed
US-20180072782-A1 DISRUPTION OF THE WAVE3 PROTEIN COMPLEX FOR SUPPRESSION OF INVASION AND METASTASIS AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2018-03-15 US disclosed
EP-3280431-A1 DISRUPTION OF THE WAVE3 PROTEIN COMPLEX FOR SUPPRESSION OF INVASION AND METASTASIS University of Georgia Research Foundation Inc. (US) 2018-02-14 EP disclosed
WO-2016164768-A1 DISRUPTION OF THE WAVE3 PROTEIN COMPLEX FOR SUPPRESSION OF INVASION AND METASTASIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-10-13 WO disclosed
WO-2015010048-A1 CHEMICALLY-STABILIZED A KINASE ANCHORING PROTEIN (AKAP) PEPTIDE DISRUPTORS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-01-22 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 (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-20230220019-A1 CHEMICALLY-STABILIZED ALLOSTERIC MODULATORS OF LEUCINERICH REPEAT KINASE 2 (LRRK2) LRRK2, TLK2, LMTK2 CYP2C19 4820/4885CYP1A2 4817/4885BLM 2096/4885

“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.