SCHEMBL289090

SCHEMBL289090

NC(CCC(=O)O)CCC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 6/20 0.76
ANPEP P15144 3/20 0.76
GABRP O00591 2/20 0.62
GABRD O14764 2/20 0.62
GABRA1 P14867 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRG2 P18507 2/20 0.62
GABRB3 P28472 2/20 0.62
GABRA5 P31644 2/20 0.62
GABRA3 P34903 2/20 0.62
GABRA2 P47869 2/20 0.62
GABRB2 P47870 2/20 0.62
GABRA4 P48169 2/20 0.62
GABRE P78334 2/20 0.62
GABRA6 Q16445 2/20 0.62
GABRG1 Q8N1C3 2/20 0.62
GABRG3 Q99928 2/20 0.62
GABRQ Q9UN88 2/20 0.62
CYP1A2 P05177 2/20 0.62
GRM8 O00222 1/20 0.62

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
SCHEMBL4786882 0.89 ENPEP (0.64) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL28208979 0.89 ENPEP (0.64) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL288592 0.89 ENPEP (0.64) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL298510 0.89 ENPEP (0.68) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL16860717 0.89 ENPEP (0.64) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL287856 0.89 ENPEP (0.68) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL1878207 0.87 ENPEP (1.00) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL16319841 0.87 ALDH1A1 (0.70) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL1663760 0.87 ALDH1A1 (0.70) ENPEPANPEPGABRPGABRDGABRA1
SCHEMBL288271 0.87 ENPEP (1.00) ENPEPANPEPGABRPGABRDGABRA1

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 129 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005917-A Gadolinium chelate and preparation method thereof and application thereof in preparation of magnetic resonance imaging contrast agent 南方医科大学 2024-05-10 CN claimed
EP-3611180-B1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC (US) 2021-12-22 EP claimed
CN-111647402-A Carbon quantum dot, preparation method thereof and tracer 苏州星烁纳米科技有限公司 2020-09-11 CN claimed
EP-3611180-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE Capon, Daniel J. (US) 2020-02-19 EP claimed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20160024226-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC 2016-01-28 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2014144911-A2 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE CAPON DANIEL J (US) 2014-09-18 WO claimed
US-20140112976-A1 Cyclic Peptides with an Anti-Neoplasic and Anti-Angiogenic Activity CENTRO DE INGENIERIA GENETICA BIOTECNOLOGIA (CU) 2014-04-24 US claimed
EP-2690107-A2 CYCLIC PEPTIDES WITH AN ANTI-NEOPLASIC AND ANTI-ANGIOGENIC ACTIVITY Centro De Ingenieria Genetica Y Biotecnologia (CU) 2014-01-29 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO 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 (4 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A ENPEP 3852/4885ANPEP 3698/4885GABRP 301/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS ENPEP 203/4885ANPEP 220/4885GABRP 1165/4885
US-20160024226-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE FCGR3B, FCGR2A, VSIG8 ENPEP 20/4885ANPEP 137/4885GABRP 288/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 ENPEP 4470/4885ANPEP 3835/4885GABRP 524/4885

“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.