SCHEMBL5882595

SCHEMBL5882595

COc1ccc2cc(C(Nc3ccc(C#N)cc3)C(=O)O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.51
AKR1C2 P52895 6/20 0.51
PTGS2 P35354 3/20 0.51
PTGS1 P23219 3/20 0.51
TSHR P16473 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
CYP1A2 P05177 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
AKR1C1 Q04828 1/20 0.48
ALOX5 P09917 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLAU P00749 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL5882745 0.85 F10 (0.48) LMNAMAPTALDH1A1GAARXFP1
SCHEMBL5882319 0.85 KMT2A (0.53) LMNAMAPTALDH1A1PLAUCA1
SCHEMBL5882767 0.83 F2 (0.54) CYP1A2MAPTALDH1A1GAACA12
SCHEMBL5883264 0.81 MEN1 (0.41) LMNAMAPTALDH1A1GAARXFP1
SCHEMBL5882113 0.81 F10 (0.42) LMNAMAPTALDH1A1GAARXFP1
SCHEMBL5882576 0.81 MEN1 (0.47) TSHRCYP1A2LMNAMAPTALDH1A1
SCHEMBL5883171 0.80 F10 (0.47) LMNAMAPTALDH1A1GAAL3MBTL1
SCHEMBL5882888 0.80 MEN1 (0.46) LMNAMAPTALDH1A1GAACA12
SCHEMBL5882638 0.80 F10 (0.60) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL5883945 0.79 F10 (0.46) CYP1A2MAPTALDH1A1GAACA12

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 AKR1C3 4330/4885AKR1C2 3894/4885PTGS2 1837/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS AKR1C3 4330/4885AKR1C2 3894/4885PTGS2 1837/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS AKR1C3 4330/4885AKR1C2 3894/4885PTGS2 1837/4885

“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.