SCHEMBL4863630

SCHEMBL4863630

CC(C)C[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)Cn1c(-c2ccc(F)cc2)noc1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ICMT O60725 1/20 0.42
KIFC1 Q9BW19 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.39
AGTR1 P30556 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
AKR1C3 P42330 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL4870638 0.88 CTSS (0.47) CTSKTSHRALDH1A1LMNAKMT2A
SCHEMBL4864722 0.87 SGMS2 (0.45) CTSKTSHRKMT2AMEN1ICMT
SCHEMBL4870124 0.86 GPR132 (0.47) CTSKTSHRALDH1A1MAPTKMT2A
SCHEMBL4867859 0.85 KMT2A (0.52) CTSKTSHRALDH1A1MAPTL3MBTL1
SCHEMBL14158244 0.83 CTSK (0.49) CTSK
SCHEMBL4864784 0.83 KMT2A (0.50) CTSKTSHRALDH1A1KMT2A
SCHEMBL4872595 0.81 GPR132 (0.51) CTSKTSHRMAPTKMT2A
SCHEMBL4867468 0.79 KMT2A (0.57) CTSKTSHRALDH1A1MAPTL3MBTL1
SCHEMBL14158098 0.78 NOS3 (0.50) TSHRALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL14158092 0.78 CTSK (0.53) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US claimed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-07-28 US disclosed
US-6900207-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-08-14 US disclosed
EP-1254901-A1 NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ACIN1, CASP7, CASP10 CTSK 138/4885TSHR 1500/4885ALDH1A1 3847/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 CTSK 396/4885TSHR 1639/4885ALDH1A1 3366/4885

“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.