SCHEMBL928112

SCHEMBL928112

COc1ccc(-c2oc3ccc(NC(=O)OC(C)(C)C)cc3c(=O)c2O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.45
CSNK2A2 P19784 3/20 0.44
CSNK2B P67870 3/20 0.44
CSNK2A1 P68400 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 9/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
KDM4E B2RXH2 5/20 0.42
CYP3A4 P08684 5/20 0.42
ALDH1A1 P00352 4/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
LMNA P02545 2/20 0.41
PSMB8 P28062 1/20 0.41
MAP4K4 O95819 1/20 0.41
TP53 P04637 6/20 0.40
RXFP1 Q9HBX9 2/20 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
SCHEMBL926583 0.85 KMT2A (0.45) RCE1CA12CA1CA9MAPT
SCHEMBL926217 0.85 CSNK2A2 (0.47) RCE1CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL928113 0.77 CSNK2A2 (0.43) RCE1CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL2748441 0.73 KMT2A (0.58) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL29764668 0.73 KMT2A (0.58) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7644201 0.72 MAPT (0.46) CSNK2A2CSNK2BCSNK2A1MAPTKMT2A
SCHEMBL925783 0.72 CSNK2A2 (0.67) CSNK2A2CSNK2BCSNK2A1MAPTKMT2A
Hydrochloric Acid SCHEMBL925348 0.71 MAPT (0.45) CSNK2A2CSNK2BCSNK2A1MAPTKMT2A
SCHEMBL17786494 0.70 MAPT (0.69) CSNK2A2CSNK2BCSNK2A1CA12MAPT
SCHEMBL17786540 0.70 CSNK2A2 (0.55) CSNK2A2CSNK2BCSNK2A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372866-B2 2-aryl and 2-heteroaryl 4H-1-benzopyran-4-one-6-amidino derivatives, new pharmacological agents for the treatment of arthritis, cancer and related pain ROTTAPHARM S.P.A. (IT) 2013-02-12 US disclosed
EP-2268628-B1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM SPA (IT) 2012-05-16 EP disclosed
US-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2011-01-06 US 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-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN NAT1, AADAC, OPRL1 RCE1 2778/4885CSNK2A2 1153/4885CSNK2B 2039/4885

“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.