SCHEMBL382956

SCHEMBL382956

Cc1cccc(C)c1-n1cc(CC(=O)O)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
SLC22A12 Q96S37 10/20 0.44
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
FFAR1 O14842 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
AKR1B1 P15121 1/20 0.39
ABCC4 O15439 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
NSD2 O96028 1/20 0.38

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
SCHEMBL2020749 0.83 TYR (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4628901 0.78 PTGS2 (0.53) PTGS2KLKB1CTSBFFAR1PTGDR2
SCHEMBL375290 0.76 SLC22A12 (0.40) SLC22A12KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2028562 0.76 MAPK14 (0.41) KDM4EHSD17B10MAPTLMNAHTT
SCHEMBL381148 0.74 AKR1C3 (0.40) PTGS2GAAPTGS1
SCHEMBL13970717 0.74 TYR (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL3305068 0.73 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL31702867 0.72 CYP3A4 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5738999 0.72 PTGS2 (0.57) PTGS2KLKB1CTSBPTGDR2KDM4E
SCHEMBL2022640 0.70 GAA (0.45) KDM4EALDH1A1HSD17B10MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1810972-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-25 EP disclosed
US-7968572-B2 Nitrogen-containing heterocyclic compound and pharmaceutical application thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2011-06-28 US disclosed
US-7713998-B2 Nitrogenous heterocyclic compound and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2010-03-11 US disclosed
EP-1932840-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
US-20070265308-A1 Nitrogenous Heterocyclic Compound and Pharmaceutical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-15 US disclosed
EP-1810972-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 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 (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-20070265308-A1 Nitrogenous Heterocyclic Compound and Pharmaceutical Use Thereof MAPK1, MAPK13, MAPK6 PTGS2 98/4885SLC22A12 1747/4885KLKB1 4050/4885
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF NOS2, NOS1, MAPK1 PTGS2 102/4885SLC22A12 697/4885KLKB1 4543/4885

“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.