SCHEMBL2060736

SCHEMBL2060736

O=C(O)CCCc1ccc(NC(=O)c2cccc(I)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.58
ITGB3 P05106 1/20 0.56
ITGB1 P05556 1/20 0.56
ITGAV P06756 1/20 0.56
ITGA2B P08514 1/20 0.56
ITGB5 P18084 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
FFAR1 O14842 3/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYSLTR1 Q9Y271 2/20 0.49
CCR5 P51681 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL13593303 0.89 ITGB3 (0.55) NR1H4ITGB3ITGA2BKMT2ATRPV1
SCHEMBL10102714 0.85 NR1H4 (0.72) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL13618528 0.85 MEN1 (0.72) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL13593586 0.85 NR1H4 (0.58) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL14595003 0.85 ITGB3 (0.59) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL13814818 0.85 NR1H4 (0.58) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL2061403 0.84 NR1H4 (0.71) NR1H4MEN1KMT2ACYSLTR1TRPV1
SCHEMBL14088989 0.82 NR1H4 (0.81) NR1H4MEN1KMT2AFFAR1CYSLTR1
SCHEMBL1468045 0.81 NR1H4 (0.58) NR1H4ITGB3ITGB1ITGAVITGA2B
SCHEMBL5659023 0.81 NPC1 (0.66) NR1H4MEN1KMT2ATP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148328-B2 Salicylanilides enhance oral delivery of therapeutic peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-03 US disclosed
US-20110183889-A1 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-28 US disclosed
CN-101842101-A Salicylanilide modified peptides for use as oral therapeutics UNIV CALIFORNINA 2010-09-22 CN disclosed
EP-2182956-A2 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS The Regents of the University of California (US) 2010-05-12 EP disclosed
CN-101522207-A Salicylanilides enhance oral delivery of therapeutic peptides UNIV CALIFORNINA (US) 2009-09-02 CN disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
US-20090163408-A1 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 US disclosed
EP-2049137-A2 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES The Regents of the University of California (US) 2009-04-22 EP disclosed
WO-2009032749-A2 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2009-03-12 WO disclosed
WO-2008021088-A2 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2008-02-21 WO disclosed
US-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 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-20090163408-A1 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES DNPEP, NGLY1, VIP NR1H4 1406/4885ITGB3 4850/4885ITGB1 4884/4885
US-20110183889-A1 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS DNPEP, PTMS, NGLY1 NR1H4 3888/4885ITGB3 4839/4885ITGB1 4868/4885

“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.