SCHEMBL3248133

SCHEMBL3248133

Cc1c(C(=O)O)ccc(C(=O)OC(C)(C)C)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.43
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL28002667 0.93 GRM6 (0.43) GRM6GABRPGABRDGABRA1GABRB1
SCHEMBL27889256 0.85 PTGER4 (0.48) GRM6ALDH1A1KDM4ECA12CA1
SCHEMBL27878881 0.82 GRM6 (0.40) GRM6GABRA1GABRG2GABRB3GABRA5
SCHEMBL222447 0.81 G6PD (0.50) GRM6ALDH1A1KDM4ETDP1CA12
SCHEMBL27468466 0.81 GRM6 (0.41) GRM6KMT2AMEN1CA12CA1
SCHEMBL2825687 0.81 PTGER4 (0.49) GRM6GABRPGABRDGABRA1GABRB1
SCHEMBL6112152 0.81 GRM6 (0.48) GRM6GABRPGABRDGABRA1GABRB1
SCHEMBL8651108 0.80 GRM6 (0.40) GRM6GABRPGABRDGABRA1GABRB1
SCHEMBL3256091 0.80 GRM6 (0.43) GRM6GABRPGABRDGABRA1GABRB1
SCHEMBL27681873 0.80 CASP7 (0.41) GRM6GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 US disclosed
EP-1409463-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION Bristol-Myers Squibb Company (US) 2004-04-21 EP disclosed
WO-2003002542-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-09 WO disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 WO disclosed
CN-1122577-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders DU PONT MERCK PHARMA (US) 1996-05-15 CN 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 (3 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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA GRM6 1763/4885GABRP 2674/4885GABRD 2337/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA GRM6 1899/4885GABRP 2814/4885GABRD 2595/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA GRM6 1899/4885GABRP 2814/4885GABRD 2595/4885

“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.