SCHEMBL2290590

SCHEMBL2290590

CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(O)cc2)COC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
BRD4 O60885 1/20 0.39
HSD11B2 P80365 1/20 0.38
MAPT P10636 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ESR2 Q92731 1/20 0.34
KLK7 P49862 1/20 0.34
KDM1A O60341 1/20 0.34
TGFBR1 P36897 1/20 0.33
CAPN1 P07384 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GPR119 Q8TDV5 3/20 0.33

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
SCHEMBL2290598 1.00 SPHK1 (0.43) SPHK1BRD4HSD11B2MAPTNR1H2
SCHEMBL7686350 0.88 SPHK1 (0.41) SPHK1BRD4HSD11B2DDB1CRBN
SCHEMBL2617266 0.86 SPHK1 (0.44) SPHK1BRD4HSD11B2GPR119
SCHEMBL12522465 0.85 SPHK1 (0.51) SPHK1BRD4HSD11B2KLK7
SCHEMBL6487562 0.85 SPHK1 (0.39) SPHK1BRD4HSD11B2MAPTNR1H2
SCHEMBL2617265 0.85 F2 (0.44) SPHK1BRD4HSD11B2GPR119
SCHEMBL6487557 0.85 SPHK1 (0.39) SPHK1BRD4HSD11B2MAPTNR1H2
SCHEMBL2291830 0.85 SMN1; SMN2 (0.40) SPHK1BRD4HSD11B2MAPTKDM1A
SCHEMBL2288435 0.85 SPHK1 (0.39) SPHK1BRD4HSD11B2MAPTNR1H2
SCHEMBL7040161 0.85 BRD4 (0.40) SPHK1BRD4HSD11B2NR1H2NR1H3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
EP-2066800-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2009-06-10 EP disclosed
WO-2008019306-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (3 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-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION LTA4H, LTB4R2, LTB4R SPHK1 2199/4885BRD4 980/4885HSD11B2 1698/4885
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 SPHK1 874/4885BRD4 483/4885HSD11B2 50/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 SPHK1 1034/4885BRD4 294/4885HSD11B2 54/4885

“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.