SCHEMBL840751

SCHEMBL840751

Cc1ncc(Oc2ccc(C(C)NC(=O)CC(=O)Nc3ccc(C#N)cc3)cc2Br)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CETP P11597 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 2/20 0.35
PTGER2 P43116 1/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 3/20 0.35
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL3642779 0.86 F7 (0.38) PTGER4
SCHEMBL840752 0.83 FFAR1 (0.39) FFAR1FNTAFNTBCETPALDH1A1
SCHEMBL840797 0.80 FFAR1 (0.40) FFAR1FNTAFNTBALDH1A1LMNA
SCHEMBL3639995 0.75 PTGER4 (0.39) ALDH1A1PTGER4KMT2AGAAMEN1
SCHEMBL860757 0.75 F7 (0.47)
SCHEMBL860307 0.75 F7 (0.47)
SCHEMBL842063 0.75 KDM4E (0.36) FFAR1ALDH1A1KMT2AGAAKDM4E
Hydrochloric Acid SCHEMBL840160 0.74 PTGER4 (0.38) ALDH1A1PTGER4KMT2AMEN1MAPT
Trifluoroacetic Acid SCHEMBL841962 0.71 F7 (0.44)
SCHEMBL3642780 0.71 F7 (0.40) ALDH1A1KMT2AMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI FFAR1 2630/4885FNTA 664/4885FNTB 1214/4885

“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.