SCHEMBL17986190

SCHEMBL17986190

CC(=O)Oc1cc(C)ccc1C(=O)Oc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
KDM4E B2RXH2 2/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL17986205 0.91 PTGS2 (0.46) PTGS2LMNAKMT2AMAPTALDH1A1
SCHEMBL4959789 0.85 PTGS2 (0.49) PTGS2KDM4ELMNAKMT2AMAPT
SCHEMBL29454034 0.85 PTGS2 (0.64) PTGS2KDM4ELMNAKMT2AMAPT
SCHEMBL4138781 0.85 PTGS2 (0.64) PTGS2KDM4ELMNAKMT2AMAPT
SCHEMBL18020602 0.83 PTGS2 (0.53) PTGS2KDM4ELMNAKMT2AMAPT
SCHEMBL16610057 0.82 PTGS2 (0.55) PTGS2KDM4ELMNAKMT2AMAPT
SCHEMBL18020588 0.81 GAA (0.48) KDM4EKMT2AMAPTALDH1A1CA12
SCHEMBL17986294 0.81 PTGS2 (0.47) PTGS2KDM4ELMNAKMT2AMAPT
SCHEMBL16599463 0.81 PTGS2 (0.51) PTGS2KDM4ELMNAKMT2AMAPT
SCHEMBL16599337 0.80 MAPT (0.47) PTGS2LMNAMAPTALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP claimed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP claimed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US claimed
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 US disclosed
US-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIVERSITÄT ZU KÖLN (DE) 2016-08-18 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 (2 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-20160237023-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES APC, BRCA1, VHL PTGS2 514/4885KDM4E 4338/4885LMNA 1720/4885
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases APC, BRCA1, VHL PTGS2 514/4885KDM4E 4338/4885LMNA 1720/4885

“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.