SCHEMBL9257345

SCHEMBL9257345

CC(C)N1Cc2cnccc2S1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NFATC1 O95644 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
NAMPT P43490 5/20 0.32
CACNA1H O95180 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9261326 0.87 FFAR4 (0.33) FFAR4IRAK4MITFALDH1A1LMNA
SCHEMBL9255195 0.78 CACNA1H (0.43) FFAR4CACNA1HKCNH2
SCHEMBL8283895 0.77 ATM (0.44) ALDH1A1LMNADYRK1ANAMPTCACNA1H
SCHEMBL9261349 0.76 NAMPT (0.36) NAMPTSIGMAR1CYP2C9CYP2C19
SCHEMBL9256028 0.76 NAMPT (0.36) NAMPTSIGMAR1CYP2C9CYP2C19
SCHEMBL13632830 0.74 CACNA1H (0.34) FFAR4NAMPTCACNA1HSIGMAR1CYP3A4
SCHEMBL9256115 0.74 SIGMAR1 (0.40) NAMPTSIGMAR1
SCHEMBL9256107 0.74 SIGMAR1 (0.40) NAMPTSIGMAR1
SCHEMBL8628232 0.72 MMP9 (0.38) NFATC1GSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL16126562 0.71 ATM (0.44) CYP3A4CYP2D6JAK2JAK1

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 FFAR4 3425/4885IRAK4 3190/4885MITF 3771/4885

“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.