SCHEMBL5882355

SCHEMBL5882355

N#Cc1ccc(NC(Cc2ccccc2)(C(=O)O)C2=COCO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
FAAH O00519 1/20 0.35
NAMPT P43490 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
SNCA P37840 1/20 0.33
AR P10275 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CNR2 P34972 1/20 0.33
SCD O00767 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL5882933 0.81 HDAC8 (0.33) NPC1
SCHEMBL5045640 0.72 SLC1A3 (0.39) KMT2AMEN1SIGMAR1CNR2TMEM97
SCHEMBL3819421 0.72 CA12 (0.39) KMT2AALDH1A1
SCHEMBL4823560 0.66 CYP1A2 (0.48) LMNANPC1
SCHEMBL2346144 0.66 SMN1; SMN2 (0.37) KMT2ANPC1ALDH1A1
SCHEMBL3443952 0.64 CYP2C9 (0.39) NPC1ALDH1A1
SCHEMBL8874556 0.64 KIF11 (0.37) KMT2AMEN1PKM
SCHEMBL7405594 0.63 MMP2 (0.42) SAE1UBA2NAMPTKMT2ALMNA
SCHEMBL15262579 0.62 SMN1; SMN2 (0.38)
SCHEMBL5531099 0.62 LMNA (0.32) LMNAALDH1A1

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 RORC 4827/4885SAE1 1537/4885UBA2 2307/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS RORC 4827/4885SAE1 1537/4885UBA2 2307/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS RORC 4827/4885SAE1 1537/4885UBA2 2307/4885

“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.