SCHEMBL4137557

SCHEMBL4137557

CN(Cc1sccc1Sc1cccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
GBA1 P04062 1/20 0.34
MGLL Q99685 1/20 0.33
GLS O94925 1/20 0.33
RAB9A P51151 1/20 0.33
ABHD6 Q9BV23 2/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
CLK1 P49759 1/20 0.32
NAMPT P43490 3/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.31
LMNA P02545 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
SCHEMBL4118148 0.81 HTR2C (0.38) RIPK1HTR2CSLC6A4GBA1MGLL
SCHEMBL3650693 0.79 CLK1 (0.36) RIPK1HTR2CSLC6A4MGLLGLS
SCHEMBL5890773 0.73 RIPK1 (0.63) RIPK1HTR2CSLC6A4GLSRAB9A
SCHEMBL3651194 0.72 SIRT2 (0.37) LMNA
SCHEMBL23201921 0.70 RIPK1 (0.43) RIPK1HTR2CSLC6A4GBA1GLS
SCHEMBL15973941 0.69 PLOD2 (0.47) RIPK1RAB9ANAMPTCYP3A4LMNA
SCHEMBL3701898 0.68 HTR2C (0.49) HTR2CSLC6A4
SCHEMBL11480586 0.66 RIPK1 (0.39) RIPK1HTR2CSLC6A4GBA1GLS
SCHEMBL6121860 0.65 RIPK1 (0.61) RIPK1GBA1RAB9ACYP3A4
SCHEMBL31407151 0.65 SSTR4 (0.41) RIPK1HTR2CSLC6A4MGLLGLS

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 RIPK1 4203/4885HTR2C 2565/4885SLC6A4 3372/4885

“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.