SCHEMBL4864969

SCHEMBL4864969

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.42
AOC3 Q16853 5/20 0.40
PTPN1 P18031 1/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LCK P06239 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CHRM4 P08173 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CFTR P13569 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 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
SCHEMBL4990336 0.95 SCD (0.38) SCDAOC3PPARDPPARA
SCHEMBL4988080 0.94 NAMPT (0.36) SCDAOC3EPHX2NR1H4CHRM4
SCHEMBL4990577 0.94 SCD (0.38) SCDAOC3PTPN1RAB9AALDH1A1
SCHEMBL4985031 0.93 ALDH1A1 (0.42) SCDRAB9AALDH1A1POLBMAPT
SCHEMBL4988043 0.93 PPARA (0.42) SCDEPHX2NR1H4CHRM4PPARD
SCHEMBL4988574 0.93 AOC3 (0.43) SCDAOC3EPHX2NR1H4CHRM4
SCHEMBL4985430 0.91 AOC3 (0.39) AOC3RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4991267 0.91 PPARA (0.42) SCDAOC3ALDH1A1POLBMAPT
SCHEMBL4986164 0.91 AOC3 (0.35) AOC3PPARA
SCHEMBL4875745 0.90 SCD (0.39) SCDAOC3RAB9ARXFP1POLB

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-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

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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885AOC3 782/4885PTPN1 530/4885

“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.