Sugi Predict

Sugi Predict / Compounds / SCHEMBL5882970

SCHEMBL5882970

SCHEMBL5882970

CCOc1c(C(C)C)ccc(C(Nc2ccc(C#N)cc2)C(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.40
▸ F7 P08709 3/20 0.40
▸ F3 P13726 3/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ MMP2 P08253 2/20 0.36
▸ F2 P00734 2/20 0.36
▸ PSMB5 P28074 1/20 0.35
▸ MMP3 P08254 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 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
SCHEMBL5883626 0.84 MMP2 (0.40) F10F7F3PRSS1PRSS2
SCHEMBL6869598 0.82 F10 (0.39) F10F7F3PRSS1PRSS2
SCHEMBL5883084 0.78 F10 (0.43) F10F7F3PRSS1PRSS2
SCHEMBL5883071 0.74 F7 (0.51) F10F7F3PRSS1PRSS2
SCHEMBL5882483 0.74 F7 (0.51) F10F7F3PRSS1PRSS2
SCHEMBL5882757 0.74 IDO1 (0.40) F10F7F3PRSS1PRSS2
SCHEMBL5882556 0.74 F10 (0.66) F10F7F3PRSS1PRSS2
SCHEMBL5883352 0.72 CTDSP1 (0.39) F10F7F3PRSS1PRSS2
SCHEMBL5882260 0.72 F7 (0.58) F10F7F3PRSS1PRSS2
SCHEMBL6866137 0.72 F10 (0.40) F10F7F3PRSS1PRSS2

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 7 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
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP 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 (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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F10 520/4885F7 1019/4885F3 2017/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F10 520/4885F7 1019/4885F3 2017/4885

“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.