SCHEMBL9256115

SCHEMBL9256115

CC(C)N1Cc2cnccc2CCS1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NAMPT P43490 13/20 0.35
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
TIPARP Q7Z3E1 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
SCHEMBL9256107 0.94 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4NAMPTSLC22A12
SCHEMBL9256028 0.85 NAMPT (0.36) SIGMAR1NAMPTTIPARP
SCHEMBL9261349 0.82 NAMPT (0.36) SIGMAR1NAMPTTIPARP
SCHEMBL9252057 0.81 MAOA (0.46)
SCHEMBL9257457 0.75 DPP8 (0.39) NAMPTTIPARP
SCHEMBL9257345 0.74 FFAR4 (0.33) SIGMAR1NAMPT
SCHEMBL9261326 0.74 FFAR4 (0.33) SIGMAR1NAMPT
SCHEMBL9256079 0.73 DPP8 (0.40) NAMPTTIPARP
SCHEMBL8371340 0.70 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4NAMPTPDGFRB
SCHEMBL30133729 0.70 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4NAMPTPDGFRB

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP SIGMAR1 1154/4885CHRNB2 2171/4885CHRNA4 2231/4885

“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.