SCHEMBL9256028

SCHEMBL9256028

CC(C)N1Cc2cnccc2CS1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.36
SIGMAR1 Q99720 1/20 0.34
TIPARP Q7Z3E1 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL9261349 0.94 NAMPT (0.36) NAMPTSIGMAR1TIPARPBMPR1BBMPR1A
SCHEMBL9256115 0.85 SIGMAR1 (0.40) NAMPTSIGMAR1TIPARP
SCHEMBL9256107 0.82 SIGMAR1 (0.40) NAMPTSIGMAR1TIPARP
SCHEMBL9252075 0.80 HRH3 (0.44) NAMPT
SCHEMBL9261326 0.76 FFAR4 (0.33) NAMPTSIGMAR1CYP2C9CYP2C19
SCHEMBL9257345 0.76 FFAR4 (0.33) NAMPTSIGMAR1CYP2C9CYP2C19
SCHEMBL9256008 0.74 DPP8 (0.40) NAMPTTIPARP
SCHEMBL9252901 0.72 DPP8 (0.41) NAMPTTIPARP
SCHEMBL7878390 0.71 MITF (0.43) NAMPTSIGMAR1TIPARPCYP2C9CYP2C19
SCHEMBL256354 0.68 SIGMAR1 (0.46) NAMPTSIGMAR1TIPARP

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 NAMPT 1564/4885SIGMAR1 1154/4885TIPARP 4754/4885

“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.