SCHEMBL4438448

SCHEMBL4438448

NC(OC(=O)CC(=O)O)OC(=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
SLC1A1 P43005 2/20 0.32
GRM8 O00222 1/20 0.32

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
Butane SCHEMBL3319065 0.91 FFAR3 (0.33) LDHASRRGABRPGABRDGABRA1
SCHEMBL27477349 0.80 GABRP (0.39) LDHASRRGABRPGABRDGABRA1
SCHEMBL1162348 0.77 LMNA (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3415362 0.76 LDHA (0.42) LDHASRRTSHR
SCHEMBL242500 0.74 TSHR (0.47) LDHASRRTSHR
SCHEMBL7463374 0.74 LDHA (0.40) LDHASRRTSHR
SCHEMBL26939174 0.74 LDHA (0.40) LDHASRRTSHR
SCHEMBL5349565 0.72 LDHA (0.38) LDHASRRGABRPGABRDGABRA1
SCHEMBL22124620 0.72 MAPT (0.45) LDHASRROR51E2
SCHEMBL5793622 0.70 LDHA (0.36) LDHASRR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
CN-102702193-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
EP-2134345-A2 TRIAZOLQUINOLONIC DERIVATIVES WITH ANTIMYCOBACTERIAL ACTIVITY Need Pharmaceuticals S.r.l. (IT) 2009-12-23 EP disclosed
WO-2008107781-A2 TRIAZOLQUINOLONIC DERIVATIVES WITH ANTIMYCOBACTERIAL ACTIVITY NEED PHARMACEUTICALS S.R.L. (IT) 2008-09-12 WO disclosed
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
EP-1467999-A1 OXOTHIENO[3,2-B]PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP disclosed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US disclosed
WO-2003059912-A1 OXOTHIENO (3, 2-B) PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
EP-0134165-B1 7-(PYRROL-1-YL)-1-ETHYL-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID AND 7-(PYRROL-1-YL)-1-ETHYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS PROVESAN S.A. (CH) 1988-06-08 EP disclosed
EP-0134165-A2 7-(Pyrrol-1-yl)-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid and 7-(pyrrol-1-yl)-1-ethyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid derivatives, their preparation and use as medicaments PROVESAN S.A. (CH) 1985-03-13 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 (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-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 LDHA 2308/4885SRR 822/4885GABRP 3529/4885

“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.