SCHEMBL4871293

SCHEMBL4871293

CC(=O)Nc1nc(CCc2ccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)c(C(=O)N2CCC(C(=O)O)CC2)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
AOC3 Q16853 7/20 0.33
TSHR P16473 1/20 0.33
OGA O60502 2/20 0.32
NAMPT P43490 1/20 0.32
PABPC1 P11940 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
SCHEMBL4871287 1.00 MEN1 (0.36) MEN1KMT2APTPN2PTPN1PTPN6
SCHEMBL4869556 0.92 NPC1 (0.41) MEN1KMT2ATSHR
SCHEMBL4869568 0.92 NPC1 (0.41) MEN1KMT2ATSHR
SCHEMBL4875407 0.88 CYP2C19 (0.41) MEN1KMT2AGPR119ABL1RIN1
SCHEMBL4875404 0.88 CYP2C19 (0.41) MEN1KMT2AGPR119ABL1RIN1
SCHEMBL4876176 0.87 AOC3 (0.38) MEN1KMT2AAOC3OGA
SCHEMBL4876151 0.87 AOC3 (0.38) MEN1KMT2AAOC3OGA
SCHEMBL4875952 0.86 AOC3 (0.39) MEN1KMT2AAOC3
SCHEMBL4875960 0.86 AOC3 (0.39) MEN1KMT2AAOC3
SCHEMBL3932906 0.85 AOC3 (0.37) AOC3OGA

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 8 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB MEN1 3711/4885KMT2A 4255/4885PTPN2 3623/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MEN1 2478/4885KMT2A 4395/4885PTPN2 1288/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MEN1 3836/4885KMT2A 3324/4885PTPN2 3177/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MEN1 2478/4885KMT2A 4395/4885PTPN2 1288/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MEN1 3241/4885KMT2A 4570/4885PTPN2 2527/4885

“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.