SCHEMBL8516100

SCHEMBL8516100

COc1ccc(Oc2ccc(Br)cc2F)c(CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
MTNR1B P49286 1/20 0.47
CXCL8 P10145 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.42
BMP1 P13497 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
AKR1C3 P42330 2/20 0.42
PTGS1 P23219 1/20 0.42
AKR1C2 P52895 1/20 0.42
NR3C1 P04150 1/20 0.41
LCK P06239 1/20 0.41
TRPA1 O75762 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 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
SCHEMBL2562856 0.83 HSD17B10 (0.61) HSD17B10MAPTALDH1A1GAAKDM4E
SCHEMBL14097991 0.80 HSD17B10 (0.57) HSD17B10MAPTALDH1A1GAATDP1
SCHEMBL2562283 0.80 HSD17B10 (0.57) HSD17B10MTNR1BALDH1A1KDM4EMEN1
SCHEMBL2369905 0.79 KDM4E (0.56) HSD17B10MTNR1BMAPTALDH1A1GAA
SCHEMBL504029 0.78 HSD17B10 (1.00) HSD17B10MTNR1BMAPTGAAKDM4E
SCHEMBL30512021 0.78 HSD17B10 (1.00) HSD17B10MTNR1BMAPTGAAKDM4E
SCHEMBL2560429 0.77 HSD17B10 (0.51) HSD17B10NR3C1
Hydrochloric Acid SCHEMBL2527402 0.76 HSD17B10 (0.97) HSD17B10MTNR1BMAPTGAAKDM4E
SCHEMBL5743085 0.76 HSD17B10 (0.68) HSD17B10MTNR1BMAPTKDM4EAKR1C3
SCHEMBL154368 0.76 HSD17B10 (0.68) HSD17B10MAPTALDH1A1GAATDP1

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-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-20130338177-A1 Spiro-Amino-Imidazolone and Spiro-Amino-Dihydro-Pyrimidinone Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-12-19 US disclosed
EP-2643325-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2013-10-02 EP disclosed
WO-2012071279-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-05-31 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-20130338177-A1 Spiro-Amino-Imidazolone and Spiro-Amino-Dihydro-Pyrimidinone Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP HSD17B10 1196/4885MTNR1B 2218/4885CXCL8 3321/4885

“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.