SCHEMBL10025201

SCHEMBL10025201

CC(C)(C)Cc1noc(C(C)(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHA2 P29317 1/20 0.31
EPHB4 P54760 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18471537 0.83 CNR2 (0.35) AOC3EPHA2EPHB4CNR2
SCHEMBL20365263 0.80 AOC3 (0.38) AOC3CNR2
SCHEMBL91618 0.80 AOC3 (0.32) AOC3CNR2
SCHEMBL21325031 0.79 CXCR3 (0.31) AOC3KDM4EALDH1A1LMNAHPGD
SCHEMBL2869276 0.78 AOC3 (0.31) AOC3KDM4EALDH1A1LMNAHPGD
SCHEMBL2869278 0.78 NOTUM (0.40) AOC3CNR2
SCHEMBL478959 0.78 CNR2 (0.33) AOC3KDM4EALDH1A1LMNAHPGD
SCHEMBL10058001 0.77 ALDH1A1 (0.42) AOC3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21324892 0.76 NPC1 (0.45) CNR2NPC1HTTRAB9ASMN1; SMN2
SCHEMBL1912688 0.76 L3MBTL1 (0.31) NPC1HTTRAB9ASMN1; SMN2

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
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120115895-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20080214589-A1 Thrombin Inhibiting 2,4-Dioxo-3,4-Dihydropyrimidine Derivatives ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
US-20070099962-A1 5,6-Dihydropyrin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-05-03 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 (7 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC AOC3 4037/4885KDM4E 3043/4885ALDH1A1 1877/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC AOC3 3744/4885KDM4E 2426/4885ALDH1A1 1669/4885
US-20080214589-A1 Thrombin Inhibiting 2,4-Dioxo-3,4-Dihydropyrimidine Derivatives F2, PLAT, F2R AOC3 2375/4885KDM4E 3099/4885ALDH1A1 1405/4885
US-20070099962-A1 5,6-Dihydropyrin-2-one compounds useful as inhibitors of thrombin F2, SERPINC1, SERPINE1 AOC3 2716/4885KDM4E 4532/4885ALDH1A1 1015/4885
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT AOC3 2054/4885KDM4E 2691/4885ALDH1A1 1813/4885
US-20120115895-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS HRH2, HRH1, LTC4S AOC3 2678/4885KDM4E 4455/4885ALDH1A1 650/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 AOC3 4481/4885KDM4E 1058/4885ALDH1A1 1604/4885

“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.