SCHEMBL346099

SCHEMBL346099

CC(c1ccccc1)C(F)(F)CC(NC(=O)N1CCC2(CC1)CC2)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.49
CTSS P25774 8/20 0.49
CTSK P43235 8/20 0.49
CYP3A4 P08684 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.45
CYP2C9 P11712 3/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL346508 0.96 CYP3A4 (0.47) CTSBCTSSCTSKCYP3A4SMN1; SMN2
SCHEMBL346132 0.80 CTSB (0.72) CTSBCTSSCTSKCYP3A4SMN1; SMN2
SCHEMBL346133 0.80 CTSB (0.72) CTSBCTSSCTSKCYP3A4SMN1; SMN2
SCHEMBL347075 0.79 CTSB (0.65) CTSBCTSSCTSKCYP3A4CYP2C9
SCHEMBL347076 0.79 CTSB (0.65) CTSBCTSSCTSKCYP3A4CYP2C9
SCHEMBL345225 0.77 CTSB (0.55) CTSBCTSSCTSKCYP3A4SMN1; SMN2
SCHEMBL346404 0.76 CTSB (0.67) CTSBCTSSCTSKCYP3A4SMN1; SMN2
SCHEMBL346403 0.76 CTSB (0.67) CTSBCTSSCTSKCYP3A4SMN1; SMN2
SCHEMBL346447 0.73 CTSS (0.67) CTSBCTSSCTSKCYP3A4CYP2C9
SCHEMBL346446 0.73 CTSS (0.67) CTSBCTSSCTSKCYP3A4CYP2C9

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 CTSB 31/4885CTSS 24/4885CTSK 87/4885

“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.