SCHEMBL5869221

SCHEMBL5869221

CCOC(=O)[C@H](Cc1ccc(Oc2cc(F)cc(F)c2)cc1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 2/20 0.45
TACR1 P25103 1/20 0.42
CTSL P07711 3/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
GPR34 Q9UPC5 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CAPN1 P07384 1/20 0.40

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
SCHEMBL5869216 1.00 CTSK (0.45) CTSKCTSSTACR1CTSLPPARG
SCHEMBL5869225 1.00 CTSK (0.45) CTSKCTSSTACR1CTSLPPARG
SCHEMBL7419082 1.00 CTSK (0.45) CTSKCTSSTACR1CTSLPPARG
SCHEMBL5869445 0.85 GPR34 (0.47) CTSKTACR1CTSLPPARGPPARA
SCHEMBL5869436 0.85 GPR34 (0.47) CTSKTACR1CTSLPPARGPPARA
SCHEMBL5869439 0.85 GPR34 (0.47) CTSKTACR1CTSLPPARGPPARA
SCHEMBL6834071 0.84 CTSK (0.41) CTSKCTSSCTSLPOLBHSD17B10
SCHEMBL8248987 0.84 ANPEP (0.52) CTSKCTSSCTSLPPARGCAPN1
SCHEMBL5870079 0.84 CTSK (0.48) CTSKTACR1CTSLPOLBHSD17B10
SCHEMBL5870077 0.84 CTSK (0.48) CTSKTACR1CTSLPOLBHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
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 CTSK 541/4885CTSS 751/4885TACR1 119/4885

“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.