Sugi Predict

Sugi Predict / Compounds / SCHEMBL4073513

SCHEMBL4073513

SCHEMBL4073513

O=Cc1cccc(C(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SRC P12931 1/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ TRIM24 O15164 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PGK1 P00558 2/20 0.38
▸ PGK2 P07205 2/20 0.38
▸ MAOA P21397 4/20 0.37
▸ MAOB P27338 4/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TYR P14679 1/20 0.35
▸ ALDH5A1 P51649 1/20 0.34
▸ ABAT P80404 1/20 0.34

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
SCHEMBL27654071 0.83 UNG (0.46) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL2642178 0.82 UNG (0.48) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL8127721 0.80 UNG (0.43) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL30265731 0.80 LMNA (0.55) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL28883947 0.80 TDP1 (0.50) ALDH1A1PTGS2PGK1PGK2
SCHEMBL21310006 0.79 UNG (0.42) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL4952311 0.78 ALDH1A1 (0.48) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL4951093 0.78 ALDH1A1 (0.54) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL2937253 0.78 ALDH1A1 (0.48) UNGALDH1A1SRCCYP2A6TRIM24
SCHEMBL31124696 0.78 ALDH1A1 (0.48) UNGALDH1A1SRCCYP2A6TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 — — EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 — — US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 — — US disclosed
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 — — US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 — — US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 — — US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 — — 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
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 — — EP disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 — — US disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 — — US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 — — US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — WO 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 (6 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 UNG 3405/4885ALDH1A1 1755/4885SRC 1596/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 UNG 3801/4885ALDH1A1 2001/4885SRC 1348/4885
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS UNG 2520/4885ALDH1A1 2850/4885SRC 3206/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 UNG 3405/4885ALDH1A1 1755/4885SRC 1596/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS UNG 2520/4885ALDH1A1 2850/4885SRC 3206/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS UNG 2520/4885ALDH1A1 2850/4885SRC 3206/4885

“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.