SCHEMBL8157763

SCHEMBL8157763

Cc1c(C(=O)O)[nH]c2c1CC(O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GPR35 Q9HC97 2/20 0.35
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL12777389 1.00 PTK2 (0.42) PTK2TSHRALOX15HSD17B10ALDH1A1
SCHEMBL12777385 0.82 PTK2 (0.42) PTK2TSHRALOX15HSD17B10ALDH1A1
SCHEMBL8145079 0.82 PTK2 (0.42) PTK2TSHRALOX15HSD17B10ALDH1A1
SCHEMBL12777400 0.80 JAK2 (0.40) PTK2TSHRALOX15HSD17B10
SCHEMBL8151495 0.79 GPR35 (0.38) TSHRALOX15HSD17B10GPR35
SCHEMBL12777427 0.79 ALDH1A1 (0.33) TSHRALOX15HSD17B10ALDH1A1TP53
SCHEMBL8153561 0.79 ALDH1A1 (0.33) TSHRALOX15HSD17B10ALDH1A1TP53
SCHEMBL8157838 0.75
SCHEMBL12777421 0.75
SCHEMBL8153549 0.70 PTK2 (0.62) PTK2TSHRALOX15HSD17B10ALDH1A1

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-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 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 (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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PTK2 1248/4885TSHR 4620/4885ALOX15 98/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE PTK2 1248/4885TSHR 4620/4885ALOX15 98/4885

“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.