SCHEMBL4991689

SCHEMBL4991689

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(C(=O)NCCCC(=O)N2CCOCC2)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
FLT3 P36888 1/20 0.32
FKBP1A P62942 3/20 0.32
TAAR1 Q96RJ0 1/20 0.32
AOC3 Q16853 5/20 0.31
GAA P10253 1/20 0.31
USP28 Q96RU2 1/20 0.31

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
SCHEMBL4984475 0.93 ALDH1A1 (0.33) ALDH1A1KMT2ATSHRLMNAAOC3
SCHEMBL4989671 0.91 LMNA (0.40) ALDH1A1MAPK1KMT2ATSHRLMNA
SCHEMBL4982419 0.86 AOC3 (0.33) AOC3
SCHEMBL4986164 0.85 AOC3 (0.35) AOC3
SCHEMBL4875750 0.85 GHSR (0.36) AOC3
SCHEMBL4989628 0.84 AOC3 (0.33) AOC3
SCHEMBL4991683 0.84 ALDH1A1 (0.38) ALDH1A1MAPK1KMT2ANPSR1TSHR
SCHEMBL4992587 0.84 AOC3 (0.32) ALDH1A1AOC3
SCHEMBL4984752 0.84 ALDH1A1 (0.39) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL4982248 0.83 AOC3 (0.34) KMT2AAOC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB ALDH1A1 927/4885MAPK1 714/4885KMT2A 4255/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 ALDH1A1 260/4885MAPK1 822/4885KMT2A 3324/4885

“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.