Sugi Predict

Sugi Predict / Compounds / SCHEMBL875372

SCHEMBL875372

SCHEMBL875372

C[C@@H](NC(=O)OC(C)(C)C)C(N)=S

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ PREP P48147 1/20 0.41
▸ CTSK P43235 11/20 0.41
▸ CTSS P25774 4/20 0.41
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39

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
SCHEMBL2411603 1.00 CA1 (0.47) CA1CA2CA7CA12CA14
SCHEMBL2171444 1.00 CA1 (0.47) CA1CA2CA7CA12CA14
SCHEMBL1888284 0.84 CA1 (0.50) CA1CA2CA7CA12CA14
SCHEMBL1888283 0.84 CA1 (0.50) CA1CA2CA7CA12CA14
SCHEMBL2318522 0.84 CA1 (0.50) CA1CA2CA7CA12CA14
SCHEMBL1333292 0.82 CA1 (0.49) CA1CA2CA7CA12CA14
Hydrochloric Acid SCHEMBL3606870 0.82 CA1 (0.49) CA1CA2CA7CA12CA14
SCHEMBL15947338 0.82 CA1 (0.49) CA1CA2CA7CA12CA14
SCHEMBL13715135 0.81 CTSK (0.53) CA1CA2CA7CA12CA14
SCHEMBL29395538 0.81 CA12 (0.47) CA1CA2CA7CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 — — US disclosed
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 — — EP disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 — — US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 — — US disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 — — WO disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 — — WO disclosed
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 — — US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 — — US disclosed
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2010-05-27 — — US disclosed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 — — US disclosed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 — — US disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 — — WO disclosed
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 — — US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 — — US disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 — — WO disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 — — US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 — — US disclosed
US-20050222139-A1 Non-peptide gnrh antagonists FERRING B.V. (NL) 2005-10-06 — — 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-20050222139-A1 Non-peptide gnrh antagonists GNRHR, BRS3, FSHR CA1 1502/4885CA2 1509/4885CA7 1389/4885
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 CA1 492/4885CA2 287/4885CA7 255/4885
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CA1 3997/4885CA2 1948/4885CA7 2790/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CA1 3997/4885CA2 1948/4885CA7 2790/4885
US-20080255109-A1 Non-peptide GnRH antagonists GNRHR, BRS3, FSHR CA1 1643/4885CA2 1716/4885CA7 1544/4885

“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.