SCHEMBL5044685

SCHEMBL5044685

COc1cc(=O)n(CC(=O)O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.42
AKR1B1 P15121 1/20 0.41
MAT2A P31153 1/20 0.41
KMO O15229 1/20 0.41
PPARG P37231 1/20 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
SCHEMBL12002293 0.86 KDM4E (0.50) KDM4EPPARG
SCHEMBL2800022 0.84 HPGD (0.40) KDM4EMAPTMAT2AKMO
SCHEMBL2799701 0.81 MAT2A (0.41) KDM4EMAPTMAT2A
SCHEMBL5041882 0.81 PTGDR2 (0.48) PTGDR2KDM4EAKR1B1KMO
SCHEMBL5040366 0.79 KDM4E (0.68) KDM4EMAPT
SCHEMBL7252626 0.79 KDM4E (0.43) PTGDR2KDM4EMAPT
SCHEMBL2800556 0.78 AKR1C3 (0.43) PTGDR2MAT2APPARG
SCHEMBL21027429 0.71 PTGDR2 (0.44) PTGDR2MAPTKMOPPARG
SCHEMBL3720591 0.71 MAPK9 (0.53) PTGDR2KMOPPARG
SCHEMBL29456264 0.71 MAPK9 (0.53) PTGDR2KMOPPARG

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
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 PTGDR2 4185/4885KDM4E 2555/4885MAPT 3361/4885

“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.