SCHEMBL6546349

SCHEMBL6546349

O=C(O)CC(NC(=O)CNC(=O)CCCCNC(=O)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.61
ITGAV P06756 4/20 0.61
ITGA2B P08514 3/20 0.61
ITGB5 P18084 2/20 0.61
ITGB6 P18564 2/20 0.61
CNR1 P21554 4/20 0.50
FOLH1 Q04609 2/20 0.49
UTS2R Q9UKP6 1/20 0.48
SLC6A3 Q01959 2/20 0.47
CASR P41180 2/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
THRB P10828 1/20 0.43
HTR3A P46098 1/20 0.42
CTSA P10619 1/20 0.42

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
SCHEMBL6546439 0.97 ITGAV (0.57) ITGB3ITGAVITGA2BITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6811178 0.95 ITGAV (0.56) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6546024 0.93 ITGAV (0.66) ITGB3ITGAVITGA2BITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6806200 0.92 ITGAV (0.52) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6546172 0.91 ITGAV (0.59) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6545844 0.90 ITGAV (0.61) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6545496 0.89 ITGAV (0.56) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6546023 0.88 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6545655 0.88 ITGAV (0.60) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6546160 0.87 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 US claimed
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 US disclosed
EP-1379495-A2 LIGANDS OF THE ALPHA-V-BETA 6 INTEGRIN MERCK PATENT GmbH (DE) 2004-01-14 EP disclosed
WO-2002083627-A2 LIGANDS DES INTEGRINS AVSS6 MERCK PATENT GMBH (DE) 2002-10-24 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-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin ITGB6, ITGAV, ITGB1 ITGB3 13/4885ITGAV 2/4885ITGA2B 9/4885

“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.