SCHEMBL4156437

SCHEMBL4156437

O=C(c1cccs1)C1COCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GAA P10253 3/20 0.40
DAO P14920 1/20 0.40
RAB9A P51151 5/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.38
TSHR P16473 2/20 0.37
CTSC P53634 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4164203 0.77 TSHR (0.46) CES2CES1GAADAORAB9A
SCHEMBL7288149 0.75 EPHX1 (0.39) GAAHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL12858057 0.70 LMNA (0.40) RAB9AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL28289372 0.70 CTSC (0.38) CTSC
Fluoride SCHEMBL11483972 0.69 ALDH1A1 (0.42) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11485832 0.69 ALDH1A1 (0.42) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL28109126 0.68 PIN1 (0.44) HPGDALDH1A1KMT2ALMNAPOLB
SCHEMBL2449876 0.68 ALOX15 (0.50) CES2CES1GAADAORAB9A
SCHEMBL27873458 0.67 CTSC (0.35) CTSC
SCHEMBL27826403 0.67 CTSC (0.35) CTSC

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R CES2 1371/4885CES1 476/4885GAA 2469/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R CES2 1371/4885CES1 476/4885GAA 2469/4885

“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.