SCHEMBL4451801

SCHEMBL4451801

CCOC(=O)CCCS(=O)(=O)NN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SMYD3 Q9H7B4 1/20 0.41
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 3/20 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
SCHEMBL22356178 0.79 CYP1A2 (0.59) CYP1A2GAAMGAMSIMGAM2
SCHEMBL4022043 0.77 CYP1A2 (0.55) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14900199 0.77 CYP1A2 (0.55) CYP1A2GAAMGAMSIMGAM2
SCHEMBL19402876 0.77 CYP1A2 (0.43) CYP1A2GAAMGAMSIMGAM2
SCHEMBL19402734 0.76 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL19402733 0.76 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5014807 0.76 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL30200590 0.74 CYP1A2 (0.57) CYP1A2GAAMGAMSIMGAM2
SCHEMBL18095953 0.74 CYP1A2 (0.81) CYP1A2GAAMGAMSIMGAM2
SCHEMBL27531796 0.74 CYP1A2 (0.52) CYP1A2GAAMGAMSIMGAM2

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-7605150-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-10-20 US disclosed
US-20060035838-A1 Drug therapy for celiac sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-02-16 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-20060035838-A1 Drug therapy for celiac sprue SI, TMPRSS15, DNPEP CYP1A2 2272/4885GAA 114/4885MGAM 5/4885

“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.