SCHEMBL841020

SCHEMBL841020

CC(=O)c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.79
PTPN1 P18031 1/20 0.79
PTPN6 P29350 1/20 0.79
ABL1 P00519 1/20 0.75
RIN1 Q13671 1/20 0.75
NPC1 O15118 4/20 0.66
RAB9A P51151 3/20 0.65
GPR119 Q8TDV5 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NAMPT P43490 1/20 0.52
STS P08842 3/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL12648835 0.87 PTPN2 (0.83) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL28454201 0.87 PTPN2 (0.74) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL28455754 0.86 PTPN1 (0.81) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL8283575 0.86 PTPN2 (0.81) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL13707509 0.86 PTPN2 (0.81) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL2378725 0.86 PTPN2 (0.81) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL1355066 0.86 PTPN2 (0.81) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL3557554 0.86 PTPN2 (0.81) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL2710950 0.85 PTPN2 (0.79) PTPN2PTPN1PTPN6ABL1RIN1
Hydrochloric Acid SCHEMBL28768913 0.85 PTPN2 (0.79) PTPN2PTPN1PTPN6ABL1RIN1

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 16 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
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
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-05-02 US disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 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 (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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI PTPN2 1728/4885PTPN1 1653/4885PTPN6 1435/4885
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 PTPN2 2102/4885PTPN1 1583/4885PTPN6 1247/4885

“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.