SCHEMBL7696090

SCHEMBL7696090

CS(=O)(=O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1COCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.33
AGTR2 P50052 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
LOX P28300 1/20 0.33
AGTR1 P30556 1/20 0.33
ECE1 P42892 1/20 0.32
LMNA P02545 1/20 0.32
KIF11 P52732 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL5405234 1.00 HCRTR2 (0.33) HCRTR2AGTR2CTSLCTSBCTSK
SCHEMBL5416646 0.90 AGTR2 (0.35) HCRTR2AGTR2CTSLCTSBCTSK
SCHEMBL5412639 0.89 MMP1 (0.32) HCRTR2AGTR2CTSLCTSBCTSK
SCHEMBL5406472 0.89 ALDH1A1 (0.34) AGTR2CTSLCTSBCTSKLOX
SCHEMBL5410585 0.87 PTGIR (0.33) HCRTR2KIF11MMP2MMP9
SCHEMBL5410582 0.87 PTGIR (0.33) HCRTR2KIF11MMP2MMP9
SCHEMBL5409337 0.84 HCRTR2 (0.34) HCRTR2KIF11
SCHEMBL5412637 0.83 RAB9A (0.40)
SCHEMBL5412632 0.83 RAB9A (0.40)
SCHEMBL5405194 0.83 TLR2 (0.35) HCRTR2MMP2MMP9HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 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-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 HCRTR2 2575/4885AGTR2 493/4885CTSL 161/4885

“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.