SCHEMBL6161530

SCHEMBL6161530

NC(CCCCOc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
LTA4H P09960 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
PARP10 Q53GL7 1/20 0.49
GSR P00390 1/20 0.48
KIF11 P52732 3/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL6159560 1.00 KCNA3 (0.55) KCNA3ITGB3ITGA2BLTA4HTDP1
SCHEMBL5288095 0.95 TDP1 (0.55) KCNA3ITGB3ITGA2BLTA4HTDP1
Bromide SCHEMBL6049715 0.92 LTA4H (0.56) KCNA3ITGB3ITGA2BLTA4HTDP1
Bromide SCHEMBL6049719 0.92 LTA4H (0.56) KCNA3ITGB3ITGA2BLTA4HTDP1
SCHEMBL5082950 0.89 LTA4H (0.53) KCNA3ITGB3ITGA2BLTA4HTDP1
SCHEMBL5082944 0.89 LTA4H (0.53) KCNA3ITGB3ITGA2BLTA4HTDP1
SCHEMBL9090603 0.89 LTA4H (0.53) KCNA3ITGB3ITGA2BLTA4HTDP1
Bromide SCHEMBL6049690 0.89 HDAC1 (0.55) ITGB3ITGA2BLTA4HHDAC1HDAC2
Bromide SCHEMBL6049689 0.89 HDAC1 (0.55) ITGB3ITGA2BLTA4HHDAC1HDAC2
SCHEMBL4105743 0.88 ITGB3 (0.57) ITGB3ITGA2BLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 EP disclosed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 US disclosed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 KCNA3 3431/4885ITGB3 4095/4885ITGA2B 4756/4885

“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.