SCHEMBL1671644

SCHEMBL1671644

Cc1ccc(CN)c(Cl)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
METAP2 P50579 1/20 0.36
CLIC1 O00299 1/20 0.35
CXCL8 P10145 1/20 0.35
CLCN2 P51788 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DPP4 P27487 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL25200699 0.85 METAP2 (0.47) ALDH1A1MAPK1SMN1; SMN2GAAMETAP2
SCHEMBL15268108 0.82 PNMT (0.38) PNMTCLIC1CXCL8CLCN2DPP4
SCHEMBL14783306 0.81 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2METAP2TDP1L3MBTL1
SCHEMBL1671686 0.81 DPP4 (0.48) PNMTALDH1A1GAAMETAP2CLCN2
Hydrochloric Acid SCHEMBL27837550 0.80 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2METAP2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL1673165 0.80 DPP4 (0.47) PNMTALDH1A1SMN1; SMN2GAAMETAP2
SCHEMBL6496766 0.80 KDM4E (0.36) ALDH1A1SMN1; SMN2TDP1L3MBTL1DPP4
SCHEMBL1671555 0.79 METAP2 (0.39) PNMTMETAP2DPP4MRGPRX4
SCHEMBL27511348 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1SMN1; SMN2CLCN2TDP1
SCHEMBL6089197 0.78 L3MBTL1 (0.47) ALDH1A1TDP1L3MBTL1DPP4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 PNMT 1117/4885ALDH1A1 228/4885MAPK1 1765/4885

“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.