SCHEMBL1154754

SCHEMBL1154754

O=C(N[C@@H]1[C@@H]2CC3C[C@H]1C[C@@](O)(C3)C2)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.50
HSD11B1 P28845 7/20 0.48
EPHX2 P34913 3/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
CPB1 P15086 2/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL1154453 1.00 IDH1 (0.50) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL4708150 1.00 IDH1 (0.50) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL1154459 1.00 IDH1 (0.50) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL2168977 0.90 IDH1 (0.46) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL2169217 0.90 IDH1 (0.46) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL2168979 0.90 IDH1 (0.46) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL1846641 0.86 HSD11B1 (0.56) HSD11B1EPHX2ALDH1A1GAACPB1
SCHEMBL2825063 0.86 HSD11B1 (0.56) HSD11B1EPHX2ALDH1A1GAACPB1
SCHEMBL1846642 0.86 HSD11B1 (0.56) HSD11B1EPHX2ALDH1A1GAACPB1
SCHEMBL13138634 0.86 EPHX2 (0.50) HSD11B1EPHX2ALDH1A1GAACPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966200-B1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC (JP) 2014-10-29 EP disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
EP-2292228-A1 Pyrazole derivatives as 11-beta-HSD1 inhibitors AstraZeneca AB (Publ) (SE) 2011-03-09 EP disclosed
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 US disclosed
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 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 (4 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-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 IDH1 318/4885HSD11B1 1/4885EPHX2 1955/4885
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, JAK2 IDH1 2654/4885HSD11B1 2674/4885EPHX2 1399/4885
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, IRAK3 IDH1 2717/4885HSD11B1 1313/4885EPHX2 1811/4885
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HSD11B1, HSD3B1, HSD11B2 IDH1 318/4885HSD11B1 1/4885EPHX2 1955/4885

“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.