SCHEMBL4148951

SCHEMBL4148951

CN(CC(=O)N(C)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
CTSS P25774 3/20 0.47
LMNA P02545 2/20 0.46
SYK P43405 1/20 0.46
AKT1 P31749 3/20 0.44
CTSK P43235 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
BACE1 P56817 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL4152470 0.87 SMN1; SMN2 (0.56) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL4149711 0.83 SYK (0.47) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL27623763 0.82 PRSS1 (0.44) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL31072143 0.81 CTSL (0.45) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL31072120 0.81 CTSL (0.45) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL25132769 0.81 CTSL (0.45) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL25132759 0.81 CTSL (0.45) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL7703626 0.81 ALDH1A1 (0.49) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL4148947 0.80 SMN1; SMN2 (0.49) SMN1; SMN2CTSLCTSBCTSSLMNA
SCHEMBL9756736 0.80 AKT1 (0.53) SMN1; SMN2CTSLCTSBCTSSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SMN1; SMN2 3886/4885CTSL 4560/4885CTSB 3534/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SMN1; SMN2 3772/4885CTSL 4660/4885CTSB 3688/4885

“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.