SCHEMBL13833804

SCHEMBL13833804

COCOc1ccccc1C(O)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 3/20 0.51
LOXL2 Q9Y4K0 1/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK9 P45984 1/20 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
SCHEMBL14788097 0.88 HPGD (0.55) GAATSHRMAPK1HPGDLOXL2
SCHEMBL13737845 0.75 CTSA (0.44) MAPK1SMN1; SMN2KMT2AMEN1HIF1A
SCHEMBL23660 0.75 GAA (0.67) GAATSHRMAPK1HPGDMAPT
SCHEMBL24186532 0.73 MIF (0.41) GAATSHRMAPK1HPGDLOXL2
SCHEMBL30286889 0.73 MIF (0.41) GAATSHRMAPK1HPGDLOXL2
SCHEMBL10860435 0.73 HPGD (0.62) GAATSHRMAPK1HPGDLOXL2
SCHEMBL13833752 0.70 ALDH1A1 (0.53) TSHRMAPK1HPGDMAPTRAB9A
SCHEMBL10471387 0.69 CYP2D6 (0.48) MAPK1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL900511 0.69 HPGD (1.00) GAATSHRMAPK1HPGDLOXL2
SCHEMBL17100358 0.69 HTR1A (0.40) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP GAA 335/4885TSHR 3677/4885MAPK1 3102/4885

“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.