SCHEMBL4984475

SCHEMBL4984475

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)N2CCCCC2)s1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
AOC3 Q16853 2/20 0.30
USP28 Q96RU2 1/20 0.30

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
SCHEMBL4991689 0.93 ALDH1A1 (0.36) ALDH1A1TSHRKMT2AGAALMNA
SCHEMBL4982419 0.88 AOC3 (0.33) AOC3
SCHEMBL4986164 0.86 AOC3 (0.35) AOC3
SCHEMBL4984752 0.86 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL4875750 0.86 GHSR (0.36) AOC3
SCHEMBL4989628 0.86 AOC3 (0.33) AOC3
SCHEMBL4989671 0.85 LMNA (0.40) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4992587 0.85 AOC3 (0.32) ALDH1A1AOC3
SCHEMBL4982248 0.85 AOC3 (0.34) POLBMEN1KMT2AMAPTAOC3
SCHEMBL6427390 0.84 POLB (0.33) ALDH1A1HPGDUSP2TSHRPOLB

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 2 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

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 927/4885HPGD 883/4885USP2 2822/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 ALDH1A1 260/4885HPGD 947/4885USP2 3569/4885

“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.