Sugi Predict

Sugi Predict / Compounds / SCHEMBL5883500

SCHEMBL5883500

SCHEMBL5883500

CCCc1cc(CC)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1OCC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ XDH P47989 2/20 0.32
▸ CTSL P07711 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
SCHEMBL5883502 1.00 THRA (0.35) THRATHRBF2PRSS1PRSS2
SCHEMBL5883455 0.99 PRSS1 (0.34) THRATHRBF2PRSS1PRSS2
SCHEMBL5883457 0.99 PRSS1 (0.34) THRATHRBF2PRSS1PRSS2
SCHEMBL5883024 0.96 PRSS1 (0.35) F2PRSS1PRSS2F7F3
SCHEMBL5883029 0.96 PRSS1 (0.35) F2PRSS1PRSS2F7F3
SCHEMBL5883375 0.89 PRSS1 (0.38) F2PRSS1PRSS2F7F3
SCHEMBL5882548 0.87 F7 (0.48) F2PRSS1PRSS2F7F3
SCHEMBL6739087 0.87 F7 (0.48) F2PRSS1PRSS2F7F3
SCHEMBL5882552 0.86 PSMB5 (0.37) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882578 0.86 F7 (0.49) F2PRSS1PRSS2F7F3

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 6 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
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
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 — — US 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 THRA 3809/4885THRB 3878/4885F2 371/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS THRA 3809/4885THRB 3878/4885F2 371/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS THRA 3809/4885THRB 3878/4885F2 371/4885

“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.