SCHEMBL3829691

SCHEMBL3829691

CCOC(=O)C(NC(C)=O)C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.44
MAPT P10636 1/20 0.44
TACR1 P25103 1/20 0.44
ALDH1A1 P00352 1/20 0.44
OPRK1 P41145 1/20 0.43

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
SCHEMBL10531968 0.84 MAPK1 (0.56) HSD17B10CTSLCTSBCTSSCTSK
SCHEMBL18305934 0.82 HSD17B10 (0.56) HSD17B10CTSLCTSBCTSSCTSK
SCHEMBL9868455 0.80 ALDH1A1 (0.51) CTSBMAPK1LMNAMEN1KMT2A
SCHEMBL561049 0.80 CTRB1 (0.55) HSD17B10CTSLCTSBCTSSCTSK
SCHEMBL10906071 0.79 ALDH1A1 (0.53) HSD17B10CTSLCTSBCTSSCTSK
SCHEMBL8823266 0.78 ALDH1A1 (0.59) CTSBMAPK1KMT2AL3MBTL1RAB9A
SCHEMBL11738255 0.78 SMN1; SMN2 (0.48) LMNASMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL8561874 0.78 CTRB1 (0.56) HSD17B10CTSLCTSBCTSSCTSK
SCHEMBL3231538 0.77 PPID (0.64) HSD17B10CTSLCTSBCTSSCTSK
SCHEMBL13707667 0.77 LMNA (0.56) CTSLCTSBCTSSCTSKMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 HSD17B10 327/4885CTSL 2560/4885CTSB 3072/4885

“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.