SCHEMBL977146

SCHEMBL977146

C[C@@H](O)[C@H](NC(=O)c1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.39
CTSD P07339 4/20 0.38
BACE1 P56817 4/20 0.38
BACE2 Q9Y5Z0 4/20 0.38
UTS2R Q9UKP6 4/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL976386 0.91 CTSD (0.39) CCR1CTSDBACE1BACE2UTS2R
SCHEMBL976518 0.91 CTSD (0.39) CCR1CTSDBACE1BACE2UTS2R
SCHEMBL976499 0.87 UTS2R (0.39) CTSDBACE1BACE2UTS2RCA1
SCHEMBL977320 0.87 CNR2 (0.40) CCR1CTSDBACE1BACE2UTS2R
SCHEMBL975116 0.87 UTS2R (0.39) CCR1CTSDBACE1BACE2UTS2R
SCHEMBL976522 0.86 CTSD (0.41) CCR1CTSDBACE1BACE2UTS2R
SCHEMBL3401770 0.85 CTSD (0.39) CTSDBACE1BACE2UTS2RTDP1
SCHEMBL3661019 0.85 MEN1 (0.38) CTSDBACE1BACE2UTS2RLMNA
SCHEMBL978276 0.85 CTSD (0.39) CCR1CTSDBACE1BACE2UTS2R
SCHEMBL976506 0.85 CCR1 (0.36) CCR1CA1CA2KCNH2

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-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP 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-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CCR1 1721/4885CTSD 1694/4885BACE1 2925/4885

“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.