SCHEMBL2600071

SCHEMBL2600071

CC(C)(C)/C=C/c1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.50
KDM4E B2RXH2 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH3 Q9Y5N1 7/20 0.40
ALDH1A1 P00352 2/20 0.38
FKBP5 Q13451 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.34
CYP19A1 P11511 4/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
MAPT P10636 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
CDK5 Q00535 1/20 0.32
PTK2B Q14289 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL16317364 0.71 AOC1 (0.50) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL10149598 0.71 AOC1 (0.50) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL543476 0.70
SCHEMBL19059633 0.68 KDM4E (0.55) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL4965314 0.68
SCHEMBL1997770 0.67
SCHEMBL5238058 0.67 AOC1 (0.50) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL19558473 0.67 AOC1 (0.46) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL9111778 0.67 AOC1 (0.50) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL12425711 0.67

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11633385-B2 Combination compositions for treatment of cancer REDHILL BIOPHARMA LTD. (IL) 2023-04-25 US disclosed
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA REDHILL BIOPHARMA LTD (IL) 2021-12-02 US disclosed
US-11090325-B2 Compositions for treating ebola virus infection REDHILL BIOPHARMA LTD. (IL) 2021-08-17 US disclosed
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER REDHILL BIOPHARMA LTD (IL) 2021-05-06 US disclosed
US-10946000-B2 Method for treating cancer with combination therapy REDHILL BIOPHARMA LTD. (IL) 2021-03-16 US disclosed
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION REDHILL BIOPHARMA LTD (IL) 2020-05-21 US disclosed
US-10543222-B2 Therapy for inhibition of single-stranded RNA virus replication REDHILL BIOPHARMA LTD. (IL) 2020-01-28 US disclosed
US-10463654-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2019-11-05 US disclosed
US-20180125831-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD (IL) 2018-05-10 US disclosed
US-9844540-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2017-12-19 US disclosed
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD. (IL) 2017-04-06 US disclosed
US-20160113954-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION REDHILL BIOPHARMA LTD. (IL) 2016-04-28 US disclosed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20120095004-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-04-19 US disclosed
US-8063248-B2 3-(4-Chloro-phenyl)-adamantane-1-carboxylic acidisopropylamide; antiproliferative, antiinflammatory agent, angiogenesis inhibitor; sphingolipid-derived signaling pathway; coupling acid or acylhalide of phenyl-adamantane derivatives with aminoalkyl-pyridine APOGEE BIOTECHNOLOGY CORPORATION (US) 2011-11-22 US disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 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 (15 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-20160113954-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION RNMT, EIF2AK2, POLRMT AOC1 2897/4885KDM4E 2814/4885BLM 639/4885
US-10543222-B2 Therapy for inhibition of single-stranded RNA virus replication RNMT, EIF2AK2, POLRMT AOC1 2897/4885KDM4E 2814/4885BLM 639/4885
US-20180125831-A1 COMBINATION THERAPIES FOR TREATING CANCER TPMT, KRAS, ACE AOC1 981/4885KDM4E 376/4885BLM 3923/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 AOC1 4348/4885KDM4E 2931/4885BLM 1710/4885
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION NEFM, EIF2AK2, IRF3 AOC1 3793/4885KDM4E 4257/4885BLM 312/4885
US-20120095004-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 AOC1 2917/4885KDM4E 2438/4885BLM 4398/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 AOC1 3005/4885KDM4E 3842/4885BLM 4513/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 AOC1 2917/4885KDM4E 2438/4885BLM 4398/4885
US-10946000-B2 Method for treating cancer with combination therapy TPMT, KRAS, SDHA AOC1 467/4885KDM4E 290/4885BLM 3598/4885
US-11633385-B2 Combination compositions for treatment of cancer KRAS, TPMT, CYP2D6 AOC1 1080/4885KDM4E 445/4885BLM 3514/4885
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER KRAS, TPMT, CYP2D6 AOC1 1080/4885KDM4E 445/4885BLM 3514/4885
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER KRAS, ACE, TPMT AOC1 1111/4885KDM4E 293/4885BLM 3840/4885
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA SPHK2, SPHK1, S1PR2 AOC1 4348/4885KDM4E 2931/4885BLM 1710/4885
US-10463654-B2 Combination therapies for treating cancer TPMT, KRAS, ACE AOC1 981/4885KDM4E 376/4885BLM 3923/4885
US-11090325-B2 Compositions for treating ebola virus infection NEFM, EIF2AK2, IRF3 AOC1 3793/4885KDM4E 4257/4885BLM 312/4885

“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.