SCHEMBL2963598

SCHEMBL2963598

CCOC(=O)c1ccc(C(=O)[O-])nc1.CCOC(=O)c1ccc(C(=O)[O-])nc1.[Ca+2]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP known ✓ O00591 1/20 0.42
GABRD known ✓ O14764 1/20 0.42
GABRA1 known ✓ P14867 1/20 0.42
GABRB1 known ✓ P18505 1/20 0.42
GABRG2 known ✓ P18507 1/20 0.42
GABRB3 known ✓ P28472 1/20 0.42
GABRA5 known ✓ P31644 1/20 0.42
GABRA3 known ✓ P34903 1/20 0.42
GABRA2 known ✓ P47869 1/20 0.42
GABRB2 known ✓ P47870 1/20 0.42
GABRA4 known ✓ P48169 1/20 0.42
GABRE known ✓ P78334 1/20 0.42
GABRA6 known ✓ Q16445 1/20 0.42
GABRG1 known ✓ Q8N1C3 1/20 0.42
GABRG3 known ✓ Q99928 1/20 0.42
GABRQ known ✓ Q9UN88 1/20 0.42
MAPK1 P28482 2/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49

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
SCHEMBL29637478 0.87 MAPK1 (0.61) MAPK1CA12CA1CA2CA7
SCHEMBL1971939 0.87 MAPK1 (0.61) MAPK1CA12CA1CA2CA7
SCHEMBL2585062 0.84 KDM4E (0.68) MAPK1CA12CA1CA2CA7
SCHEMBL7356681 0.83 MAPK1 (0.75) MAPK1CA12CA1CA2CA7
SCHEMBL2963596 0.83 KDM4E (0.66) MAPK1CA12CA1CA2CA7
SCHEMBL27305364 0.80 MAPK1 (0.49) MAPK1CA12CA1CA2CA7
Potassium Ion SCHEMBL4478519 0.79 MAPK1 (0.74) MAPK1CA12CA1CA2CA7
SCHEMBL659139 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL29800427 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL811649 0.78 CA12 (0.56) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 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-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN GABRP 3137/4885GABRD 2754/4885GABRA1 2072/4885

“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.