SCHEMBL2600028

SCHEMBL2600028

CC(C)(C)Cc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.54
▸ PDE2A O00408 3/20 0.45
▸ DAO P14920 2/20 0.44
▸ SLC6A4 P31645 3/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ APP P05067 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ POLQ O75417 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MPL P40238 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL18701033 0.86 CYP1A2 (0.43) IDO1DAOKIF11GAATSHR
SCHEMBL13021064 0.85 IDO1 (0.54) IDO1PDE2ADAOSLC6A4KIF11
SCHEMBL21654297 0.84 IDO1 (0.50) IDO1PDE2ADAOSLC6A4SLC6A2
SCHEMBL24618054 0.83 IDO1 (0.38) IDO1PDE2ADAOSLC6A4SLC6A2
SCHEMBL12775998 0.83 IDO1 (0.38) IDO1PDE2ADAOGAA
SCHEMBL19725441 0.82 DAO (0.45) IDO1PDE2ADAOSLC6A4KIF11
SCHEMBL22921010 0.82 ESR1 (0.41) IDO1PDE2ADAOAPPTAAR1
SCHEMBL13644756 0.81 POLQ (0.46) IDO1PDE2ADAOKIF11POLQ
SCHEMBL6789942 0.80 IDO1 (0.58) IDO1PDE2ADAOSLC6A4SLC6A2
SCHEMBL7803404 0.80 IDO1 (0.46) IDO1PDE2ADAOSLC6A4SLC6A2

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 35 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-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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — US disclosed
US-7741345-B2 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. (US) 2010-06-22 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 — — 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
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 — — 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 IDO1 2639/4885PDE2A 1337/4885DAO 3290/4885
US-10543222-B2 Therapy for inhibition of single-stranded RNA virus replication RNMT, EIF2AK2, POLRMT IDO1 2125/4885PDE2A 1178/4885DAO 2521/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 IDO1 2971/4885PDE2A 681/4885DAO 3304/4885
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION NEFM, EIF2AK2, IRF3 IDO1 3320/4885PDE2A 427/4885DAO 3023/4885
US-20120095004-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 IDO1 2235/4885PDE2A 1111/4885DAO 2361/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 IDO1 2235/4885PDE2A 1111/4885DAO 2361/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 IDO1 2535/4885PDE2A 1289/4885DAO 3217/4885
US-10946000-B2 Method for treating cancer with combination therapy TPMT, KRAS, SDHA IDO1 1170/4885PDE2A 1010/4885DAO 493/4885
US-11633385-B2 Combination compositions for treatment of cancer KRAS, TPMT, CYP2D6 IDO1 1650/4885PDE2A 973/4885DAO 1465/4885
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER KRAS, TPMT, CYP2D6 IDO1 1650/4885PDE2A 973/4885DAO 1465/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 IDO1 515/4885PDE2A 555/4885DAO 2369/4885
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA SPHK2, SPHK1, S1PR2 IDO1 2971/4885PDE2A 681/4885DAO 3304/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD IDO1 1815/4885PDE2A 778/4885DAO 1461/4885
US-10463654-B2 Combination therapies for treating cancer TPMT, KRAS, ACE IDO1 1502/4885PDE2A 573/4885DAO 828/4885
US-11090325-B2 Compositions for treating ebola virus infection NEFM, EIF2AK2, IRF3 IDO1 3320/4885PDE2A 427/4885DAO 3023/4885

“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.

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