SCHEMBL1301115

SCHEMBL1301115

COc1ccc(COc2cc(C(=O)O)c(Br)cc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.63
FYN P06241 1/20 0.63
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MRGPRX4 Q96LA9 3/20 0.49
PLA2G4B P0C869 1/20 0.47
RXRA P19793 1/20 0.47
FFAR1 O14842 1/20 0.47
CTSV O60911 2/20 0.46

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
SCHEMBL2158619 0.89 LCK (0.67) LCKFYNTSHRHSD17B10SMN1; SMN2
SCHEMBL12109068 0.88 RAB9A (0.51) LCKFYNTSHRHSD17B10SMN1; SMN2
SCHEMBL1301262 0.85 MAPT (0.49) LCKFYNTSHRHSD17B10SMN1; SMN2
SCHEMBL16416469 0.82 TSHR (0.61) LCKFYNTSHRHSD17B10POLB
SCHEMBL1301678 0.81 MAPT (0.46) LCKFYNTSHRHSD17B10SMN1; SMN2
SCHEMBL14700000 0.81 RAB9A (0.55) SMN1; SMN2RAB9ANPC1POLBL3MBTL1
SCHEMBL15670828 0.81 RAB9A (0.55) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL9356634 0.81 POLB (0.55) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL1646591 0.81 LRRK2 (0.61) SMN1; SMN2RAB9ANPC1POLBMRGPRX4
SCHEMBL11367177 0.80 LTB4R (0.52) MEN1KMT2ATDP1

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
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 EP disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP LCK 1166/4885FYN 2040/4885TSHR 4868/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP LCK 1166/4885FYN 2040/4885TSHR 4868/4885

“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.