SCHEMBL173901

SCHEMBL173901

COC(=O)c1ccc2c(-c3ccccc3)cn(C(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
EGFR P00533 1/20 0.49
PTGS2 P35354 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
PLEC Q15149 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KIF11 P52732 1/20 0.44
NEK1 Q96PY6 1/20 0.43
ALDH1A2 O94788 1/20 0.43
ALDH1A3 P47895 1/20 0.43
SGK1 O00141 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43

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
SCHEMBL8360539 0.88 SCN9A (0.46) SCN9AEGFRPTGS2KMT2AKDM4E
SCHEMBL146186 0.86 SCN9A (0.44) SCN9AEGFRPTGS2KMT2AKDM4E
SCHEMBL146859 0.85 SCN9A (0.66) SCN9AEGFRPTGS2TDP1ALDH1A1
SCHEMBL8480214 0.82 KMT2A (0.57) EGFRKMT2AKDM4EMEN1MAPT
SCHEMBL4326615 0.81 SCN9A (0.49) SCN9AEGFRPTGS2KMT2AKDM4E
SCHEMBL13577941 0.79 ASH1L (0.48) SCN9AEGFRPTGS2KMT2AMEN1
Hydrochloric Acid SCHEMBL4326712 0.78 ASH1L (0.47) SCN9AEGFRPTGS2KMT2AMEN1
SCHEMBL4333426 0.77 ALDH1A1 (0.48) SCN9AEGFRPTGS2KMT2AKDM4E
SCHEMBL4330806 0.77 CAMK2D (0.45) SCN9AEGFRPTGS2KMT2AMEN1
SCHEMBL4328324 0.76 F2RL3 (0.53) SCN9AKMT2AMEN1MAPTALDH1A1

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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 EP disclosed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO disclosed
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL SCN9A 1013/4885EGFR 4064/4885PTGS2 607/4885

“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.