SCHEMBL10328558

SCHEMBL10328558

[2H]C([2H])([2H])N(Cc1ccc(C)cc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40
CNR2 P34972 6/20 0.40
APLNR P35414 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NR3C1 P04150 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
PYCR1 P32322 1/20 0.37

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
SCHEMBL10192138 0.86 ALDH1A1 (0.49) ATMGAACNR2APLNRALDH1A1
SCHEMBL10328554 0.72 CNR2 (0.55) GAACNR2APLNRALDH1A1CNR1
SCHEMBL31612502 0.72 MAPT (0.63) GAACNR2ALDH1A1MAPTHPGD
SCHEMBL12188926 0.71 HPGD (0.47) APLNRALDH1A1HPGDCA2TAS2R14
SCHEMBL14297420 0.69 TSHR (0.50) APLNRALDH1A1TSHRPYCR1
SCHEMBL8484369 0.69 APLNR (0.42) APLNRALDH1A1TSHRLMNAPOLB
SCHEMBL4351827 0.69 MAPT (0.43) GAAAPLNRALDH1A1MAPTTSHR
SCHEMBL19563399 0.69 PYCR1 (0.46) APLNRALDH1A1LMNAPOLBPYCR1
SCHEMBL7230524 0.69 CA1 (0.44) APLNRALDH1A1TSHRCA1CA2
SCHEMBL10328557 0.69 CNR2 (0.50) GAACNR2APLNRALDH1A1TSHR

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-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 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-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP ATM 3040/4885GAA 879/4885CNR2 2030/4885

“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.