SCHEMBL2963596

SCHEMBL2963596

CCOC(=O)c1ccc(C(=O)O)nc1.[CaH2]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
MAPK1 P28482 2/20 0.66
P4HTM Q9NXG6 9/20 0.58
P4HA1 P13674 1/20 0.58
MIF P14174 1/20 0.58
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 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
SCHEMBL2585062 0.98 KDM4E (0.68) KDM4EL3MBTL1MAPK1P4HTMP4HA1
SCHEMBL1971939 0.88 MAPK1 (0.61) KDM4EL3MBTL1MAPK1CYP2C9CYP2C19
SCHEMBL29637478 0.88 MAPK1 (0.61) KDM4EL3MBTL1MAPK1CYP2C9CYP2C19
SCHEMBL370722 0.85 P4HTM (0.59) KDM4EL3MBTL1MAPK1P4HTMP4HA1
SCHEMBL7356681 0.84 MAPK1 (0.75) KDM4EL3MBTL1MAPK1CA12CA1
SCHEMBL2963598 0.83 MAPK1 (0.50) KDM4EL3MBTL1MAPK1P4HTMCYP2C9
SCHEMBL2108606 0.83 P4HTM (0.56) KDM4EL3MBTL1MAPK1P4HTMP4HA1
SCHEMBL27429591 0.82 L3MBTL1 (0.59) KDM4EL3MBTL1MAPK1P4HTMP4HA1
SCHEMBL27305364 0.81 MAPK1 (0.49) KDM4EL3MBTL1MAPK1CYP2C9CYP2C19
SCHEMBL23149647 0.80 KDM4E (0.56) KDM4EL3MBTL1MAPK1P4HTMP4HA1

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 KDM4E 514/4885L3MBTL1 550/4885MAPK1 504/4885

“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.