SCHEMBL840956

SCHEMBL840956

COCCN(C)c1ccc(C(C)=O)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.42
MLYCD O95822 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HDAC4 P56524 1/20 0.40
KIF11 P52732 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LRRK2 Q5S007 2/20 0.38
NOTUM Q6P988 1/20 0.37
EPHX2 P34913 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL17386638 0.79 KIF11 (0.47) KIF11MEN1KMT2AMAOAMAOB
SCHEMBL34467440 0.78 CREBBP (0.42) MLYCDMEN1ALDH1A1KMT2AMAOB
SCHEMBL34467479 0.78 HPGD (0.43) MEN1ALDH1A1KMT2AMAOB
SCHEMBL13812978 0.77 GLA (0.43) BRAFKIF11GPBAR1DYRK1A
SCHEMBL840210 0.75 KDM4E (0.54) THRATHRBKIF11MEN1ALDH1A1
SCHEMBL3058229 0.75 ALDH1A1 (0.45) MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL840233 0.74 GPBAR1 (0.36) BRAFMLYCDGPBAR1DYRK1AAKR1C3
SCHEMBL3051276 0.74 TRPV4 (0.40) KIF11
SCHEMBL17400566 0.74 THRA (0.51) THRATHRBMEN1ALDH1A1KMT2A
SCHEMBL34467410 0.74 HCAR3 (0.47) MEN1ALDH1A1KMT2AAKR1C3AKR1C2

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 9 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-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US 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
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 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 BRAF 1392/4885MLYCD 675/4885THRA 2917/4885

“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.