SCHEMBL5883145

SCHEMBL5883145

CCCc1cc(CC)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1OCCc1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PSMB5 P28074 1/20 0.34
PPARG P37231 4/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARA Q07869 2/20 0.33
PRSS1 P07477 2/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5883148 1.00 HIF1A (0.35) HIF1AMEN1MAPTKMT2ATDP1
SCHEMBL5882481 0.89 PPARG (0.40) HIF1AMAPTTDP1PSMB5PPARG
SCHEMBL5882476 0.89 PPARG (0.40) HIF1AMAPTTDP1PSMB5PPARG
SCHEMBL5882532 0.88 PPARG (0.37) MEN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL5882534 0.88 PPARG (0.37) MEN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL5881897 0.86 F2 (0.41) MEN1KMT2APPARGPPARAPRSS1
SCHEMBL5881901 0.86 F2 (0.41) MEN1KMT2APPARGPPARAPRSS1
SCHEMBL5883615 0.86 PSMB5 (0.35) MEN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL5883612 0.86 PSMB5 (0.35) MEN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL5883482 0.86 F10 (0.47) PRSS1F2F10PRSS2F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (3 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS HIF1A 1536/4885MEN1 604/4885MAPT 1417/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS HIF1A 1536/4885MEN1 604/4885MAPT 1417/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS HIF1A 1536/4885MEN1 604/4885MAPT 1417/4885

“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.