Sugi Predict

Sugi Predict / Compounds / SCHEMBL906186

SCHEMBL906186

SCHEMBL906186

CCCC(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.47
▸ PDE2A O00408 2/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SLC6A4 P31645 1/20 0.43
▸ GRM8 O00222 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PNMT P11086 1/20 0.39
▸ ACP3 P15309 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL2763340 1.00 HSD11B1 (0.47) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL2271667 0.95 KIF11 (0.46) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL2271672 0.95 KIF11 (0.46) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL2271676 0.95 KIF11 (0.46) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL28691397 0.91 HSD11B1 (0.46) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL16366239 0.87 HSD11B1 (0.44) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL14614552 0.87 HSD11B1 (0.44) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL28439330 0.87 HSD11B1 (0.44) HSD11B1PDE2ACES2CES1SLC6A4
SCHEMBL2269523 0.86 KIF11 (0.44) HSD11B1PDE2ACES2CES1MEN1
SCHEMBL2269518 0.86 KIF11 (0.44) HSD11B1PDE2ACES2CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098159-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-03-31 — — US disclosed
CN-113660983-A Carbamate derivatives and uses thereof 诺瑟拉有限公司 2021-11-16 — — CN disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 — — WO disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 — — US disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 — — US disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 — — US disclosed
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 — — EP disclosed
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 — — EP disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 — — US disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 — — US disclosed
EP-2277865-A1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BioSciences Australia Pty Ltd (AU) 2011-01-26 — — EP disclosed
EP-2277865-A1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BioSciences Australia Pty Ltd (AU) 2011-01-26 — — EP disclosed
EP-1656141-B1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (GB) 2010-04-14 — — EP disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 — — US disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 — — US disclosed
US-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions MERCK SHARP & DOHME LTD. (GB) 2008-06-26 — — US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 — — US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 — — US disclosed
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 — — US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 — — 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 (5 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-20070082894-A1 Pyrazine-based tubulin inhibitors TUBB1, TUBA1C, TUBB HSD11B1 381/4885PDE2A 2106/4885CES2 2216/4885
US-20160031835-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C HSD11B1 2883/4885PDE2A 3114/4885CES2 3664/4885
US-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions PSEN1, PSEN2, APP HSD11B1 227/4885PDE2A 1086/4885CES2 1085/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C HSD11B1 3051/4885PDE2A 3130/4885CES2 3782/4885
US-20220098159-A1 CARBAMATE DERIVATIVES AND USES THEREOF CASP1, IL1B, PYCARD HSD11B1 2152/4885PDE2A 900/4885CES2 2133/4885

“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.