SCHEMBL5883296

SCHEMBL5883296

Cc1cc(C2CCCC2)c(N)c(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
EPHX1 P07099 1/20 0.37
FASN P49327 6/20 0.37
MMP2 P08253 1/20 0.36
PAX8 Q06710 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RET P07949 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 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
SCHEMBL5882342 0.74 MMP2 (0.43) MMP2RAB9ATSHRBRD4
SCHEMBL5882702 0.73 MMP2 (0.41) MMP2TSHR
SCHEMBL5883232 0.73 EPHX1 (0.43) EPHX1MMP2NPC1RAB9ATSHR
SCHEMBL7645484 0.72 PTGDR2 (0.42) PTGDR2EPHX1NPC1RAB9ATSHR
SCHEMBL5882136 0.72 MMP2 (0.45) MMP2RAB9ATSHR
SCHEMBL5882491 0.71 PRSS1 (0.48) TSHR
SCHEMBL5882293 0.69 F10 (0.42) PTGDR2
SCHEMBL5883111 0.69 MMP2 (0.41) MMP2TSHRBRD4
SCHEMBL5882983 0.68 PTGS1 (0.44) EPHX1MMP2PAX8
SCHEMBL5883839 0.68 PRSS1 (0.42) PAX8TSHR

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
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 PTGDR2 1654/4885EPHX1 2427/4885FASN 4685/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885EPHX1 2427/4885FASN 4685/4885

“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.