SCHEMBL3779683

SCHEMBL3779683

COCCCn1ncc2ccc(CC(CC(NC(=O)OC(C)(C)C)C(=O)O)C(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
MAPK1 P28482 2/20 0.41
ITGB3 P05106 3/20 0.39
ITGA2B P08514 2/20 0.39
PTPN1 P18031 2/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ACE P12821 1/20 0.37
ITGAV P06756 2/20 0.37
REN P00797 3/20 0.37
KMO O15229 2/20 0.36
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL12053935 0.91 MAPK1 (0.38) ITGA4ITGB7MAPK1ITGB3PTPN1
SCHEMBL12053933 0.89 MAPK1 (0.40) ITGA4ITGB7MAPK1CTSBCTSS
SCHEMBL8223918 0.88 MAPK1 (0.41) ITGA4ITGB7MAPK1CTSBCTSS
SCHEMBL12053964 0.86 MAPK1 (0.38) MAPK1REN
SCHEMBL8229690 0.85 MAPK1 (0.38) ITGA4ITGB7MAPK1REN
SCHEMBL8229457 0.85 REN (0.40) ITGA4ITGB7MAPK1RENKMO
SCHEMBL12053981 0.85 MAPK1 (0.38) ITGA4ITGB7MAPK1REN
SCHEMBL8231860 0.82 MAPK1 (0.35) MAPK1REN
SCHEMBL12053985 0.82 REN (0.40) MAPK1CTSSRENPPARAPPARG
SCHEMBL3786556 0.82 KMO (0.45) MAPK1RENKMO

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 ITGA4 3823/4885ITGB7 2618/4885MAPK1 762/4885

“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.