SCHEMBL8248987

SCHEMBL8248987

COC(=O)[C@H](Cc1ccc(Oc2ccccc2)cc1)NC(CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
CTSL P07711 1/20 0.49
CAPN1 P07384 1/20 0.49
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
BIRC2 Q13490 1/20 0.47
MMP1 P03956 3/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL8248870 0.90 ANPEP (0.55) ANPEPCAPN1TSHRCA12CA2
SCHEMBL8255215 0.88 ANPEP (0.55) ANPEPCTSKCAPN1CA12CA2
SCHEMBL5869216 0.84 CTSK (0.45) CTSSCTSKCTSLCAPN1PPARG
SCHEMBL5869225 0.84 CTSK (0.45) CTSSCTSKCTSLCAPN1PPARG
SCHEMBL5869221 0.84 CTSK (0.45) CTSSCTSKCTSLCAPN1PPARG
SCHEMBL7419082 0.84 CTSK (0.45) CTSSCTSKCTSLCAPN1PPARG
SCHEMBL5869690 0.83 ANPEP (0.50) ANPEPCTSSCTSKCTSLCAPN1
SCHEMBL5869470 0.83 ANPEP (0.50) ANPEPCTSSCTSKCTSLCAPN1
SCHEMBL5869462 0.83 ANPEP (0.50) ANPEPCTSSCTSKCTSLCAPN1
SCHEMBL5869300 0.83 ANPEP (0.50) ANPEPCTSSCTSKCTSLCAPN1

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ANPEP 118/4885CTSS 751/4885CTSK 541/4885

“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.