SCHEMBL4397917

SCHEMBL4397917

CC(C)C(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
BHMT Q93088 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CACNA2D1 P54289 2/20 0.40
CACNB3 P54284 1/20 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
SCHEMBL12132308 1.00 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10212359 1.00 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4905364 0.85 BHMT (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3908295 0.85 BHMT (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27748429 0.83 BHMT (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17810229 0.80 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10140608 0.80 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13050663 0.80 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21790235 0.80 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12132306 0.80 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365577-A1 Photodynamic Therapy and Diagnosis RMW CHO GROUP LIMITED (HK) 2023-11-16 US disclosed
WO-2023086557-A1 NUCLEOSIDES FOR THE TREATMENT OF DNA VIRUS INFECTIONS EMORY UNIVERSITY (US) 2023-05-19 WO disclosed
WO-2022174179-A9 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-02-02 WO disclosed
US-11331331-B2 N4-hydroxycytidine and derivatives and anti-viral uses related thereto EMORY UNIVERSITY (US) 2022-05-17 US disclosed
US-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-20 US disclosed
US-11197882-B2 2021-12-14 US disclosed
US-11147826-B2 2021-10-19 US disclosed
US-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-07 US disclosed
US-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-19 US disclosed
WO-2021159044-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO EMORY UNIVERSITY (US) 2021-08-12 WO disclosed
US-8273720-B2 6,11-bicyclolides: bridged biaryl macrolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
EP-2182961-B1 PREVENTION OF GASTRIC ULCERY BY CARBON MONOXIDE ALFAMA INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2012-05-02 EP disclosed
EP-2319518-A1 Use of CO-releasing compounds for the manufacture of a medicament for the treatment of inflammatory diseases ALFAMA-Investigacao e Desenvolvimento de Produtos Farmaceuticos Lda. (PT) 2011-05-11 EP disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2042181-A1 Use of co-releasing compounds for the manufacture of a medicament for the treatment of inflammatory diseases ALFAMA-Investigacao e Desenvolvimento de Produtos Farmaceuticos Lda. (PT) 2009-04-01 EP disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 US disclosed
WO-2009013612-A1 PREVENTION OF GASTRIC ULCERY BY CARBON MONOXIDE ALFAMA - INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTOS FARMACÊUTICOS, LDA. (PT) 2009-01-29 WO disclosed
EP-1476141-B1 TAMPER-RESISTANT TRANSDERMAL OPIOID DELIVERY DEVICES EURO CELTIQUE SA (LU) 2008-04-23 EP 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 (11 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-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 GABRP 1861/4885GABRD 2331/4885GABRA1 2426/4885
US-11331331-B2 N4-hydroxycytidine and derivatives and anti-viral uses related thereto ENTPD1, NME2, NME1 GABRP 3493/4885GABRD 3952/4885GABRA1 3099/4885
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 GABRP 1861/4885GABRD 2331/4885GABRA1 2426/4885
US-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, PRPF4, HPRT1 GABRP 1651/4885GABRD 2328/4885GABRA1 1275/4885
US-11147826-B2 SNRPE, NME2, NME1 GABRP 3152/4885GABRD 3845/4885GABRA1 2527/4885
US-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO ENTPD1, NME2, NME1 GABRP 3493/4885GABRD 3952/4885GABRA1 3099/4885
US-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO TYMP, MTAP, DCTD GABRP 4380/4885GABRD 4323/4885GABRA1 4171/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 GABRP 3586/4885GABRD 3033/4885GABRA1 3531/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 GABRP 3393/4885GABRD 3066/4885GABRA1 3658/4885
US-11197882-B2 SNRPE, NME2, NME1 GABRP 3152/4885GABRD 3845/4885GABRA1 2527/4885
US-20230365577-A1 Photodynamic Therapy and Diagnosis PPOX, PPIF, ALAD GABRP 2335/4885GABRD 3677/4885GABRA1 3850/4885

“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.