SCHEMBL4585841

SCHEMBL4585841

COC(=O)c1ccc(Br)cc1SC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
SLC6A3 Q01959 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CHEK1 O14757 1/20 0.39
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL27160129 0.88 NR4A2 (0.46) NR4A2L3MBTL1ALDH1A1GAASLC6A3
SCHEMBL20504804 0.86 CA12 (0.46) L3MBTL1ALDH1A1CA12CA1CA2
SCHEMBL17504939 0.82 NR4A2 (0.49) NR4A2L3MBTL1ALDH1A1GAASLC6A3
SCHEMBL4585819 0.82 PTPRC (0.47) L3MBTL1ALDH1A1KDM4EGLAHTT
SCHEMBL17494851 0.78 NR4A2 (0.46) NR4A2L3MBTL1ALDH1A1GAASLC6A3
SCHEMBL4584018 0.78 ADRB3 (0.50) L3MBTL1ALDH1A1CA2POLB
SCHEMBL9888866 0.77 HSD17B10 (0.57) L3MBTL1ALDH1A1GAASLC6A3CA1
SCHEMBL20505240 0.77 NR4A2 (0.45) NR4A2L3MBTL1ALDH1A1GAASLC6A3
SCHEMBL2468670 0.76 NR4A2 (0.43) NR4A2L3MBTL1ALDH1A1GAASLC6A3
SCHEMBL29134446 0.76 NR4A2 (0.43) NR4A2L3MBTL1ALDH1A1GAASLC6A3

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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 (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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 NR4A2 3869/4885L3MBTL1 1781/4885ALDH1A1 1621/4885

“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.