SCHEMBL8229690

SCHEMBL8229690

COCCCn1ncc2ccc(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C[C@H](CO)C(C)C)C(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
REN P00797 15/20 0.37
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
BACE1 P56817 1/20 0.34
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL12053981 1.00 MAPK1 (0.38) MAPK1RENITGA4ITGB7BACE1
SCHEMBL12053964 0.92 MAPK1 (0.38) MAPK1REN
SCHEMBL8231860 0.91 MAPK1 (0.35) MAPK1REN
SCHEMBL3777863 0.90 MAPK1 (0.41) MAPK1REN
SCHEMBL3777864 0.90 MAPK1 (0.41) MAPK1REN
SCHEMBL3786951 0.90 MAPK1 (0.41) MAPK1REN
SCHEMBL3786956 0.90 MAPK1 (0.41) MAPK1REN
SCHEMBL12053985 0.89 REN (0.40) MAPK1RENBACE1KLK5
SCHEMBL12053933 0.88 MAPK1 (0.40) MAPK1RENITGA4ITGB7
SCHEMBL8224082 0.86 REN (0.35) MAPK1REN

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
US-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
WO-2007120523-A2 6-(AMINOALKYL)INDAZOLES VITAE PHARMACEUTICALS, INC. (US) 2007-10-25 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 MAPK1 762/4885REN 1/4885ITGA4 3823/4885

“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.