SCHEMBL346994

SCHEMBL346994

CNC(CC(F)(F)Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
ACE P12821 4/20 0.42
MMP8 P22894 3/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARA Q07869 2/20 0.40
OPRK1 P41145 2/20 0.40
PPARG P37231 1/20 0.40
MAPT P10636 1/20 0.40
FPR2 P25090 1/20 0.40
ECE1 P42892 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MME P08473 2/20 0.40
ACE2 Q9BYF1 2/20 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
Bromide SCHEMBL1200370 0.98 LMNA (0.42) LMNACYP2D6ACEMMP8CTSB
SCHEMBL8291549 0.87 TSHR (0.48) LMNAMMP8CTSBCTSSCTSK
SCHEMBL346551 0.77 CTSL (0.54) CTSBCTSSCTSKPPARAPPARG
SCHEMBL346550 0.77 CTSL (0.54) CTSBCTSSCTSKPPARAPPARG
SCHEMBL20166237 0.77 CTSL (0.36) LMNAACECTSBALDH1A1PPARA
SCHEMBL20166234 0.77 CTSL (0.36) LMNAACECTSBALDH1A1PPARA
SCHEMBL18248048 0.77 CTSL (0.36) LMNAACECTSBALDH1A1PPARA
SCHEMBL27901569 0.77 PPARA (0.48) CTSBCTSSALDH1A1PPARAOPRK1
SCHEMBL27901570 0.77 PPARA (0.48) CTSBCTSSALDH1A1PPARAOPRK1
SCHEMBL6633524 0.77 TRPA1 (0.43) LMNACYP2D6ALDH1A1CYP3A4CYP2C9

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-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP LMNA 1106/4885CYP2D6 644/4885ACE 4/4885

“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.