SCHEMBL1914799

SCHEMBL1914799

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nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
CTSK P43235 2/20 0.49
CTSS P25774 1/20 0.49
RAB9A P51151 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CTSC P53634 2/20 0.41
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RIPK1 Q13546 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1914803 1.00 CYP2C19 (0.53) CYP2C19CTSKCTSSRAB9ASLC1A3
SCHEMBL6380835 0.81 CTSK (0.46) CYP2C19CTSKCTSSRAB9ASLC1A3
SCHEMBL8621695 0.81 CTSK (0.57) CYP2C19CTSKCTSSRAB9ASLC1A3
SCHEMBL10916089 0.79 NPC1 (0.49) CYP2C19CTSKCTSSRAB9AALDH1A1
SCHEMBL7350157 0.79 CYP2C19 (0.75) CYP2C19RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL1704171 0.79 CPA1 (0.60) SLC1A3SLC1A2SLC1A1
SCHEMBL1704913 0.79 CPA1 (0.60) SLC1A3SLC1A2SLC1A1
SCHEMBL1915766 0.79 CPA1 (0.60) SLC1A3SLC1A2SLC1A1
SCHEMBL8176122 0.78 CTSK (0.55) CYP2C19CTSKCTSSRAB9ASLC1A3
SCHEMBL17762784 0.76 CYP2C19 (0.66) CYP2C19RAB9ASLC1A3SLC1A2SLC1A1

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CYP2C19 97/4885CTSK 1144/4885CTSS 1520/4885

“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.