SCHEMBL505418

SCHEMBL505418

COc1cc(C(=O)O)c(C)c(OC)c1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
HSD17B10 Q99714 3/20 0.49
PTPN1 P18031 1/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MYC P01106 1/20 0.44
GPR35 Q9HC97 1/20 0.41
TPMT P51580 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 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
SCHEMBL27780036 0.86 LCK (0.56) LCKFYNHSD17B10PTPN1PKM
SCHEMBL30740970 0.86 LCK (0.56) LCKFYNHSD17B10PTPN1PKM
SCHEMBL437132 0.86 LCK (0.56) LCKFYNHSD17B10PTPN1PKM
SCHEMBL4903560 0.84 PKM (0.58) LCKFYNHSD17B10PTPN1PKM
SCHEMBL12497067 0.83 LCK (0.56) LCKFYNHSD17B10PTPN1PKM
SCHEMBL23496923 0.82 LCK (0.59) LCKFYNHSD17B10PTPN1PKM
Ammonia Solution, Strong SCHEMBL27859010 0.82 PKM (0.57) LCKFYNHSD17B10PTPN1PKM
SCHEMBL28495366 0.81 LCK (0.54) LCKFYNHSD17B10PTPN1PKM
SCHEMBL159393 0.81 MAPT (0.54) LCKFYNHSD17B10PKMALDH1A1
SCHEMBL9197473 0.79 LCK (0.51) LCKFYNHSD17B10PTPN1PKM

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-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
CN-101475548-A Method for preparing chiral 3-substituted phthalide compound SHANGHAI INST ORGANIC CHEM (CN) 2009-07-08 CN 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD LCK 2622/4885FYN 3472/4885HSD17B10 199/4885

“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.