SCHEMBL5115230

SCHEMBL5115230

COc1ccc2ccn(-c3c(CCS(=O)(=O)NC(=O)O)c(C)nn3C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
TP53 P04637 1/20 0.38
FABP4 P15090 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ROCK1 Q13464 1/20 0.36
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL965064 0.87 TP53 (0.41) MTNR1AMTNR1BTP53MEN1KMT2A
SCHEMBL5115435 0.87 KMO (0.38) TP53KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL962358 0.85 CA2 (0.45) MTNR1AMTNR1BTP53FABP4MEN1
SCHEMBL5112090 0.85 PHGDH (0.40) MTNR1AMTNR1BTP53LMNA
SCHEMBL5119374 0.84 CDC7 (0.35) ALDH1A1MCL1
SCHEMBL962203 0.81 MTNR1A (0.35) MTNR1AMTNR1BTP53FABP4MEN1
SCHEMBL4570493 0.81 PHGDH (0.36) TP53MEN1KMT2AMCL1
SCHEMBL5121186 0.81 KDM4E (0.37) FABP4MEN1KMT2AALDH1A1LMNA
SCHEMBL4553762 0.78 AGTR2 (0.37) MCL1
SCHEMBL5117304 0.77 ENPP3 (0.33)

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-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 MTNR1A 310/4885MTNR1B 243/4885TP53 2149/4885

“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.