SCHEMBL12077490

SCHEMBL12077490

O=S(=O)(C1=CC=CCC1=S)N1CCNC(COCc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
ADRB1 P08588 1/20 0.34
LTA4H P09960 1/20 0.33
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
CYP2C19 P33261 1/20 0.31
DPP4 P27487 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
SMYD3 Q9H7B4 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM3 P20309 1/20 0.31
PKM P14618 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL16697 1.00 CTSL (0.34) CTSLCTSBCTSKADRB1LTA4H
SCHEMBL16420 0.87 CA1 (0.41) ADRB1CA1CA2CA4CA9
SCHEMBL17179 0.75 CHRNB4 (0.34)
SCHEMBL12078539 0.75 CYP3A4 (0.40) SMYD3
SCHEMBL17508 0.75 ALDH1A1 (0.51) KMT2APKM
SCHEMBL12079068 0.75 ALDH1A1 (0.51) KMT2APKM
Hydrochloric Acid SCHEMBL16218 0.74 CYP3A4 (0.40) SMYD3
SCHEMBL17593 0.74 CYP3A4 (0.32)
SCHEMBL17887 0.73 LOX (0.32) SMYD3
SCHEMBL16928 0.72 GCKR (0.46)

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-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 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-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 CTSL 4147/4885CTSB 3412/4885CTSK 990/4885

“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.