SCHEMBL2240208

SCHEMBL2240208

COC(=O)c1cc(Cl)c2c(c1)NC(=O)C(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 4/20 0.39
BRD4 O60885 3/20 0.39
HPGD P15428 1/20 0.37
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
XDH P47989 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL7278933 0.78 BRD4 (0.43) ALDH1A1KDM4ESMN1; SMN2POLBBRD4
SCHEMBL2238148 0.75 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2POLBBRD4
SCHEMBL756988 0.72 BRD4 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBBRD4
SCHEMBL31750455 0.68 MAPT (0.38) ALDH1A1KDM4ESMN1; SMN2POLBALOX5
SCHEMBL26767328 0.68 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL17213595 0.68 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2POLBBRD4
SCHEMBL23412523 0.68 BRD4 (0.39) ALDH1A1KDM4ESMN1; SMN2POLBBRD4
SCHEMBL8336066 0.67 CA1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL25343470 0.66 CCNC (0.39) ALDH1A1KDM4ESMN1; SMN2POLBBRD4
SCHEMBL2599764 0.66 PDK2 (0.38) ALDH1A1KDM4ESMN1; SMN2POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 288/4885KDM4E 2766/4885SMN1; SMN2 4394/4885

“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.