SCHEMBL5088086

SCHEMBL5088086

C=CCOC(=O)c1cc(O)c(C)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
SERPINE1 P05121 4/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
SNCA P37840 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ESR1 P03372 2/20 0.42
TSHR P16473 1/20 0.41
APP P05067 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL39875 0.86 SERPINE1 (0.63) CYP3A4SERPINE1KDM4EESR1AKR1C4
SCHEMBL13337585 0.83 CYP3A4 (0.45) CYP3A4SERPINE1SNCAKDM4EHPGD
SCHEMBL254063 0.83 CYP3A4 (0.59) CYP3A4SERPINE1CA12CA1CA2
SCHEMBL5094573 0.83 CYP3A4 (0.47) CYP3A4SERPINE1CA12CA1CA2
SCHEMBL15695711 0.82 CYP3A4 (0.50) CYP3A4CA12CA1CA2CA7
SCHEMBL26046537 0.82 CA12 (0.56) CYP3A4CA12CA1CA2CA7
SCHEMBL13337302 0.81 PTGS2 (0.54) SERPINE1CA12CA1CA2CA7
SCHEMBL5416043 0.81 SERPINE1 (0.53) CYP3A4SERPINE1KDM4EESR1AKR1C4
SCHEMBL7139650 0.80 CA12 (0.53) CYP3A4SERPINE1CA12CA1CA2
SCHEMBL2967076 0.80 CA12 (0.58) CYP3A4SERPINE1CA12CA1CA2

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-7435747-B2 Guanidine and amidine derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-14 US disclosed
EP-1345900-B1 GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-17 EP disclosed
US-20050143419-A1 Guanidine and amidine derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-30 US disclosed
CN-1479722-A Guanidine and amidine derivatives as factor Xa inhibitors ���ĵ�˹ҩ��¹����޹�˾ 2004-03-03 CN disclosed
EP-1345900-A1 GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2003-09-24 EP disclosed
US-20020173656-A1 Guanidine and amidine derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 US disclosed
WO-2002046159-A1 GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 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-20020173656-A1 Guanidine and amidine derivatives as factor Xa inhibitors F5, F9, F10 CYP3A4 2013/4885SERPINE1 16/4885CA12 4617/4885
US-20050143419-A1 Guanidine and amidine derivatives as factor Xa inhibitors F5, F10, F12 CYP3A4 2019/4885SERPINE1 18/4885CA12 4557/4885

“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.