SCHEMBL9252075

SCHEMBL9252075

CC(C)N1Cc2ccccc2CS1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 1/20 0.44
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
NOTUM Q6P988 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MC4R P32245 1/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
DPP4 P27487 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CARM1 Q86X55 1/20 0.34
NAMPT P43490 1/20 0.34
ACE P12821 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9252057 0.81 MAOA (0.46) HRH3KCNH2PER2CRY1CRY2
SCHEMBL9261349 0.80 NAMPT (0.36) NAMPT
SCHEMBL9256028 0.80 NAMPT (0.36) NAMPT
SCHEMBL9256008 0.79 DPP8 (0.40) DPP8DPP9NAMPT
SCHEMBL9252901 0.76 DPP8 (0.41) DPP8DPP9NAMPT
SCHEMBL10258273 0.76 MAOA (0.47) PER2CRY1CRY2MAOAMAOB
SCHEMBL9255195 0.73 CACNA1H (0.43) HRH3KCNH2PER2CRY1CRY2
SCHEMBL24568877 0.72 NOTUM (0.41) HRH3KCNH2PER2CRY1CRY2
SCHEMBL2759111 0.72 PER2 (0.40) HRH3KCNH2PER2CRY1CRY2
SCHEMBL2603740 0.69 KDM4E (0.47) HRH3KCNH2MAOAMAOBNOTUM

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 HRH3 445/4885KCNH2 3151/4885PER2 3181/4885

“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.