SCHEMBL5870199

SCHEMBL5870199

CCC[C@H](NC(Cc1cccc(Cc2cccc(Cl)c2)c1)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.46
MME P08473 3/20 0.45
CTSL P07711 10/20 0.44
CTSV O60911 9/20 0.44
CTSS P25774 9/20 0.44
CTSK P43235 7/20 0.44
FOLH1 Q04609 1/20 0.43
MMEL1 Q495T6 2/20 0.42
PNMT P11086 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5870209 1.00 CTSB (0.46) CTSBMMECTSLCTSVCTSS
SCHEMBL5870203 1.00 CTSB (0.46) CTSBMMECTSLCTSVCTSS
SCHEMBL8254871 0.85 MAPK1 (0.55) CTSBCTSLCTSVCTSSCTSK
SCHEMBL5870478 0.85 MAPK1 (0.55) CTSBCTSLCTSVCTSSCTSK
SCHEMBL23901512 0.80 PNMT (0.53) CTSBCTSLCTSVCTSSCTSK
SCHEMBL16287362 0.80 CTSL (0.52) CTSBCTSLCTSVCTSSCTSK
SCHEMBL31369749 0.80 CTSL (0.52) CTSBCTSLCTSVCTSSCTSK
SCHEMBL29539732 0.80 CTSL (0.52) CTSBCTSLCTSVCTSSCTSK
SCHEMBL805207 0.80 CTSL (0.52) CTSBCTSLCTSVCTSSCTSK
SCHEMBL5869465 0.80 MME (0.66) MME

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 CTSB 438/4885MME 11/4885CTSL 911/4885

“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.