SCHEMBL836601

SCHEMBL836601

C[C@@H]([C@H](O)Cc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
TRPA1 O75762 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
OPRK1 P41145 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CPA3 P15088 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL836603 1.00 HPGD (0.45) HPGDTRPA1NPC1RAB9AMEN1
SCHEMBL1317427 0.82 ADRA2B (0.51) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL531859 0.81 HPGD (0.45) HPGDTRPA1NPC1RAB9AMEN1
SCHEMBL532696 0.81 HPGD (0.45) HPGDTRPA1NPC1RAB9AMEN1
SCHEMBL640803 0.81 HPGD (0.45) HPGDTRPA1NPC1RAB9AMEN1
SCHEMBL531678 0.81 HPGD (0.45) HPGDTRPA1NPC1RAB9AMEN1
SCHEMBL16163310 0.78 TRPA1 (0.40) HPGDTRPA1NPC1RAB9AMEN1
SCHEMBL5930180 0.78 HPGD (0.39) HPGDTRPA1NPC1RAB9AMEN1
SCHEMBL14660173 0.78 TRPA1 (0.40) HPGDTRPA1NPC1RAB9AMEN1
SCHEMBL5930175 0.78 HPGD (0.39) HPGDTRPA1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 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-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 HPGD 254/4885TRPA1 880/4885NPC1 30/4885

“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.