SCHEMBL1324487

SCHEMBL1324487

O=C(O)C(Cc1ccc(I)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.55
NPSR1 Q6W5P4 1/20 0.52
ACE P12821 8/20 0.51
MME P08473 5/20 0.51
ACE2 Q9BYF1 4/20 0.51
ALB P02768 1/20 0.48
IL2 P60568 1/20 0.48
ECE1 P42892 1/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CPA1 P15085 3/20 0.43
FOLH1 Q04609 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43

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
SCHEMBL1324491 1.00 FPR2 (0.55) FPR2NPSR1ACEMMEACE2
SCHEMBL908205 0.86 ACE (0.63) FPR2NPSR1ACEMMEACE2
SCHEMBL908204 0.86 ACE (0.63) FPR2NPSR1ACEMMEACE2
SCHEMBL8726475 0.86 ACE (0.63) FPR2NPSR1ACEMMEACE2
SCHEMBL11459400 0.86 ACE (0.63) NPSR1ACEMMEACE2CPA1
SCHEMBL11459401 0.86 ACE (0.63) NPSR1ACEMMEACE2CPA1
SCHEMBL5180354 0.86 NPSR1 (0.69) FPR2NPSR1ACEMMEACE2
SCHEMBL8613833 0.86 NPSR1 (0.69) FPR2NPSR1ACEMMEACE2
SCHEMBL5180357 0.86 NPSR1 (0.69) FPR2NPSR1ACEMMEACE2
SCHEMBL2099396 0.81 NPSR1 (0.56) FPR2NPSR1ACEMMEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492345-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2013-07-23 US disclosed
US-8492345-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2013-07-23 US disclosed
US-20120122799-A1 CYCLIC PEPTIDE ANTITUMOR AGENTS NORTHWESTERN UNIVERSITY (US) 2012-05-17 US disclosed
US-20120122799-A1 CYCLIC PEPTIDE ANTITUMOR AGENTS NORTHWESTERN UNIVERSITY (US) 2012-05-17 US disclosed
US-8058244-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2011-11-15 US disclosed
US-8058244-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2011-11-15 US disclosed
US-8058244-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2011-11-15 US disclosed
US-20100204088-A1 Cyclic Peptide Antitumor Agents SILVERMAN RICHARD B 2010-08-12 US disclosed
US-20100204088-A1 Cyclic Peptide Antitumor Agents SILVERMAN RICHARD B 2010-08-12 US disclosed
US-20100204088-A1 Cyclic Peptide Antitumor Agents SILVERMAN RICHARD B 2010-08-12 US disclosed
US-7709443-B2 For treatment of human melanoma, pancreatic, breast, prostate cancer cells NORTHWESTERN UNIVERSITY (US) 2010-05-04 US disclosed
US-7709443-B2 For treatment of human melanoma, pancreatic, breast, prostate cancer cells NORTHWESTERN UNIVERSITY (US) 2010-05-04 US disclosed
US-7709443-B2 For treatment of human melanoma, pancreatic, breast, prostate cancer cells NORTHWESTERN UNIVERSITY (US) 2010-05-04 US disclosed
US-20050159346-A1 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY 2005-07-21 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 (3 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-20100204088-A1 Cyclic Peptide Antitumor Agents VIP, IAPP, NGLY1 FPR2 1498/4885NPSR1 1932/4885ACE 4078/4885
US-20120122799-A1 CYCLIC PEPTIDE ANTITUMOR AGENTS VIP, IAPP, NGLY1 FPR2 1498/4885NPSR1 1932/4885ACE 4078/4885
US-20050159346-A1 Cyclic peptide antitumor agents VIP, IAPP, NGLY1 FPR2 1498/4885NPSR1 1932/4885ACE 4078/4885

“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.