SCHEMBL1301113

SCHEMBL1301113

CCOC(=O)c1ccc(OC)c(O)c1Br.COc1cc(Br)c(C(=O)O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
HSD17B2 P37059 1/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
DPP4 P27487 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 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
SCHEMBL1301130 0.85 HSD17B2 (0.48) HSD17B2HSD17B10TSHRMAPTTDP1
SCHEMBL1300913 0.83 HSD17B2 (0.55) LCKFYNHSD17B2HSD17B10TSHR
SCHEMBL31412873 0.78 LCK (0.76) LCKFYNHSD17B10TSHRMAPT
SCHEMBL2157945 0.78 LCK (0.76) LCKFYNHSD17B10TSHRMAPT
SCHEMBL9787573 0.75 MAPT (0.66) LCKFYNHSD17B10MAPTTDP1
SCHEMBL7630754 0.75 LCK (0.61) LCKFYNHSD17B2HSD17B10TSHR
SCHEMBL2903968 0.73 TSHR (0.52) HSD17B10TSHRMAPTCA12CA1
SCHEMBL22208862 0.73 LCK (0.61) LCKFYNHSD17B2HSD17B10TSHR
SCHEMBL27455432 0.73 HSD17B2 (0.59) HSD17B2TSHRMAPTCA12CA1
SCHEMBL7570621 0.72 TSHR (0.59) LCKFYNHSD17B10TSHRMAPT

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-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

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 2040/4885HSD17B2 1203/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP LCK 1166/4885FYN 2040/4885HSD17B2 1203/4885

“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.