SCHEMBL4418604

SCHEMBL4418604

Cc1sc(S(=O)(=O)NCCN(CC(=O)O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)nc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TK2 O00142 6/20 0.33
MAPK1 P28482 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
SCHEMBL4417043 0.93 MEN1 (0.38) TK1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4425730 0.90 ADORA3 (0.39) TK1ALDH1A1MAPTCA12CA1
SCHEMBL3136458 0.87 TK2 (0.35) TK1MAPTHPGDCA12CA1
SCHEMBL4414797 0.87 TK1 (0.37) TK1HPGDCA12CA1CA2
SCHEMBL4418626 0.84 ADORA3 (0.41) TK1ALDH1A1MAPTHPGD
SCHEMBL4414566 0.80 CA12 (0.38) TK1HPGDCA12CA1CA2
SCHEMBL4414309 0.80 TK1 (0.36) TK1ALDH1A1CYP2C9CYP2C19POLB
SCHEMBL3137986 0.79 MAPK1 (0.37) TK1ALDH1A1HSD17B10POLBMAPT
SCHEMBL4415959 0.78 DDX3X (0.34) TK1HPGDCA12CA1CA2
SCHEMBL3822201 0.77 F13A1 (0.41) ALDH1A1HPGDCA12CA1CA2

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-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
EP-1651642-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-11-29 EP disclosed
EP-1651642-A1 PNA MONOMER AND PRECURSOR Panagene Inc. (KR) 2006-05-03 EP disclosed
US-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 US disclosed
WO-2005009998-A1 PNA MONOMER AND PRECURSOR PANAGENE INC. (US) 2005-02-03 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 (1 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-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 TK1 584/4885ALDH1A1 3450/4885CYP1A2 4664/4885

“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.