SCHEMBL21473784

SCHEMBL21473784

CC(C)(C)OC(=O)NC(Cc1ccccccccc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.79
CTSS P25774 3/20 0.70
CTSK P43235 2/20 0.70
CTSL P07711 1/20 0.70
CTSB P07858 1/20 0.70
PPARA Q07869 5/20 0.64
PPARG P37231 4/20 0.64
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
APP P05067 1/20 0.62
ATM Q13315 2/20 0.61
AKT1 P31749 1/20 0.60
MAPK1 P28482 1/20 0.60
PPARD Q03181 2/20 0.58
KMT2A Q03164 1/20 0.58
PTPN1 P18031 1/20 0.58

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
SCHEMBL606309 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL795685 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL27909397 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL67020 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL66220 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL29707278 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB
Water SCHEMBL15362012 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB
Water SCHEMBL15362013 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB
SCHEMBL26654474 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB
SCHEMBL26654472 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB

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-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2019-10-17 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-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES EDNRB, EDNRA, LTB4R ACE 619/4885CTSS 1179/4885CTSK 1203/4885

“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.