SCHEMBL9889385

SCHEMBL9889385

Cc1ccc(-c2n[nH]c3c2CN(S(C)(=O)=O)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 2/20 0.53
MAPK3 P27361 1/20 0.53
MAP2K1 Q02750 1/20 0.53
HTR1D P28221 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
HTR6 P50406 1/20 0.52
MET P08581 9/20 0.51
FLT3 P36888 1/20 0.49

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
SCHEMBL4713595 0.89 MET (0.50) MAPK1MAPK3MAP2K1METFLT3
SCHEMBL5257069 0.89 MAPK1 (0.63) MAPK1MAPK3MAP2K1HTR1DHTR2A
SCHEMBL2972760 0.85 RBP4 (0.52) MAPK1MAPK3MAP2K1METFLT3
SCHEMBL4532938 0.80 MET (0.50) MAPTHPGDMAPK1MAPK3MAP2K1
SCHEMBL10818696 0.80 CYP2C19 (0.69) MAPTHPGDMAPK1HTR1DHTR2A
SCHEMBL4080008 0.79 HMOX1 (0.49) MAPTHPGDMAPK1MAPK3MAP2K1
SCHEMBL4093739 0.78 HMOX1 (0.50) MAPTHPGDMAPK1MAPK3MAP2K1
SCHEMBL5126874 0.78 HMOX1 (0.52) MAPK1MAPK3MAP2K1METFLT3
SCHEMBL17232741 0.78 RBP4 (0.44) MAPK1MAPK3MAP2K1METFLT3
SCHEMBL10817743 0.77 MAPK1 (0.80) MAPTHPGDMAPK1HTR1DHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179924-A1 Process for the preparation of cathepsin S inhibitors JANSSEN PHARMACEUTICA NV (US) 2014-06-26 US disclosed
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 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 (2 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-20140179924-A1 Process for the preparation of cathepsin S inhibitors CTSS, CTSB, CTSF MAPT 2838/4885HPGD 2809/4885MAPK1 3307/4885
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF MAPT 2838/4885HPGD 2809/4885MAPK1 3307/4885

“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.