SCHEMBL6806865

SCHEMBL6806865

COc1ccccc1NC(=O)NCCC(=O)NCC(=O)NC(CC(=O)OC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ITGAV P06756 3/20 0.41
ITGB3 P05106 2/20 0.41
ITGB6 P18564 2/20 0.41
ITGA2B P08514 1/20 0.41
ITGB5 P18084 1/20 0.41
MEN1 O00255 2/20 0.41
CCR3 P51677 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL6806510 0.96 ITGAV (0.43) PKMTSHRKMT2ASMN1; SMN2MAPT
SCHEMBL6806445 0.95 ITGAV (0.46) PKMTSHRKMT2ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL6806864 0.89 ITGAV (0.48) PKMTSHRKMT2ASMN1; SMN2MAPT
SCHEMBL6806187 0.87 ITGAV (0.45) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6545638 0.87 ITGB3 (0.52) PKMTSHRKMT2ASMN1; SMN2MAPT
SCHEMBL6804038 0.87 CASR (0.46) KMT2AITGAVITGB3ITGB6ITGA2B
SCHEMBL6805508 0.87 CASR (0.48) PKMKMT2ASMN1; SMN2ITGAVITGB3
SCHEMBL6810582 0.86 ITGAV (0.45) KMT2ASMN1; SMN2MAPTITGAVITGB3
SCHEMBL6806098 0.86 ITGAV (0.45) KMT2ASMN1; SMN2MAPTITGAVITGB3
Trifluoroacetic Acid SCHEMBL6806507 0.85 ITGAV (0.50) PKMTSHRKMT2ASMN1; SMN2MAPT

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 1 patent. 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 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 PKM 4741/4885TSHR 724/4885KMT2A 3898/4885

“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.