SCHEMBL2028037

SCHEMBL2028037

CCOC(=O)c1ccc(NC2CCC(O)CC2)c(N)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.80
PTGER4 P35408 3/20 0.63
GAA P10253 1/20 0.47
BRD4 O60885 1/20 0.46
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
JAK1 P23458 2/20 0.43
JAK3 P52333 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RAB9A P51151 1/20 0.42
CDC25B P30305 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2028039 1.00 ALOX15 (0.80) ALOX15PTGER4GAABRD4LMNA
SCHEMBL15319752 0.95 ALOX15 (0.88) ALOX15PTGER4GAABRD4LMNA
SCHEMBL21311003 0.90 ALOX15 (0.65) ALOX15PTGER4BRD4LMNACYP1A2
SCHEMBL28849352 0.90 ALOX15 (0.65) ALOX15PTGER4BRD4LMNACYP1A2
SCHEMBL15320258 0.90 ALOX15 (0.80) ALOX15PTGER4GAABRD4LMNA
SCHEMBL15320656 0.90 ALOX15 (0.80) ALOX15PTGER4GAABRD4LMNA
SCHEMBL15320802 0.90 ALOX15 (0.97) ALOX15PTGER4GAABRD4LMNA
SCHEMBL15320854 0.90 ALOX15 (0.93) ALOX15PTGER4GAABRD4LMNA
SCHEMBL15319744 0.89 ALOX15 (1.00) ALOX15PTGER4GAABRD4LMNA
SCHEMBL2032512 0.89 ALOX15 (1.00) ALOX15PTGER4GAABRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107021958-A FXR receptor stimulating agents 山东轩竹医药科技有限公司 2017-08-08 CN disclosed
US-8293923-B2 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase BIOGEN IDEC MA INC. (US) 2012-10-23 US disclosed
US-20110152260-A1 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase BIOGEN IDEC MA INC. (US) 2011-06-23 US disclosed
CN-101616910-A Indazole derivatives as interleukin 1 receptor associated kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN disclosed
EP-2061786-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE Biogen Idec MA Inc. (US) 2009-05-27 EP disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
WO-2008030584-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN- 1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2008-03-13 WO disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 ALOX15 2516/4885PTGER4 4135/4885GAA 1157/4885
US-20110152260-A1 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase IRAK1, IRAK2, IRAK3 ALOX15 2687/4885PTGER4 2250/4885GAA 2223/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 ALOX15 2516/4885PTGER4 4135/4885GAA 1157/4885

“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.