SCHEMBL4872003

SCHEMBL4872003

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCCCC(=O)N2CCCCC2)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HPGD P15428 5/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 7/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AOC3 Q16853 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
USP28 Q96RU2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4874627 0.93 ALDH1A1 (0.39) GAAALDH1A1KMT2AAOC3USP28
SCHEMBL6427390 0.87 POLB (0.33) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL4984472 0.86 ALDH1A1 (0.34) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL6427384 0.86 POLB (0.33) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL4871739 0.86 AOC3 (0.36) MEN1KMT2AAOC3
SCHEMBL14019595 0.85 POLB (0.39) POLBHPGDGAAALOX15ALDH1A1
Hydrochloric Acid SCHEMBL4873425 0.85 POLB (0.39) POLBHPGDGAAALOX15ALDH1A1
SCHEMBL4875954 0.84 AOC3 (0.40) MEN1KMT2AAOC3RXFP1
SCHEMBL4876201 0.84 RAB9A (0.43) ALDH1A1MEN1KMT2AL3MBTL1RXFP1
SCHEMBL4990497 0.84 AOC3 (0.37) HPGDMEN1KMT2AL3MBTL1AOC3

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
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-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 (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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 POLB 3712/4885HPGD 3652/4885GAA 4431/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 POLB 3712/4885HPGD 3652/4885GAA 4431/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB POLB 3832/4885HPGD 2815/4885GAA 3775/4885

“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.