SCHEMBL4873046

SCHEMBL4873046

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.42
MAPK14 Q16539 3/20 0.42
KDR P35968 1/20 0.41
AOC3 Q16853 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
MMP13 P45452 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4992515 0.94 SCD (0.48) SCDAOC3LMNASMN1; SMN2MAPT
SCHEMBL4873575 0.89 SCD (0.40) SCDKDRAOC3GSK3AGSK3B
SCHEMBL4876507 0.87 SCD (0.43) SCDAOC3LMNACYP3A4SMN1; SMN2
SCHEMBL4876799 0.87 PPARA (0.47) SCDPPARAPPARGEPHX2FFAR1
SCHEMBL4874051 0.87 AOC3 (0.48) SCDAOC3MEN1KMT2A
SCHEMBL4869384 0.86 PPARA (0.43) SCDAOC3PPARALMNACYP3A4
SCHEMBL4876994 0.86 ALDH1A1 (0.48) SCDAOC3LMNAHTTMAPT
SCHEMBL4871194 0.86 ALDH1A1 (0.44) AOC3LMNACYP3A4HTTSMN1; SMN2
SCHEMBL4875954 0.85 AOC3 (0.40) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4990330 0.85 KDR (0.38) SCDMAPK14KDRAOC3GSK3A

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
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (4 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885MAPK14 1249/4885KDR 233/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 SCD 818/4885MAPK14 2712/4885KDR 56/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885MAPK14 1249/4885KDR 233/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB SCD 1094/4885MAPK14 940/4885KDR 622/4885

“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.