Sugi Predict

Sugi Predict / Compounds / SCHEMBL13036243

SCHEMBL13036243

SCHEMBL13036243

CC(=O)N[C@H]1CC[C@@H](C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.59
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ ADRA2A P08913 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40

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
SCHEMBL4761484 1.00 EPHX1 (0.59) EPHX1ATMALDH1A1KDM4ERAB9A
SCHEMBL13035805 1.00 EPHX1 (0.59) EPHX1ATMALDH1A1KDM4ERAB9A
SCHEMBL23142759 0.93 EPHX1 (0.53) EPHX1ATMALDH1A1KDM4ERAB9A
SCHEMBL21086438 0.91 EPHX1 (0.62) EPHX1ATMALDH1A1KDM4ERAB9A
SCHEMBL284318 0.89 ATM (0.56) EPHX1ATMALDH1A1KDM4ERAB9A
SCHEMBL20801411 0.89 EPHX1 (0.71) EPHX1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL284342 0.89 ATM (0.56) EPHX1ATMALDH1A1KDM4ERAB9A
SCHEMBL50350 0.89 — —
SCHEMBL284319 0.89 ATM (0.56) EPHX1ATMALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL27752288 0.87 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 — — US disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 — — EP disclosed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 — — US disclosed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 — — US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 — — US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 — — US disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 — — US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 — — US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 — — US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 — — US disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 — — US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 — — US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 — — US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 — — US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 — — US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 — — US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 — — US disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 — — WO 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 (7 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 EPHX1 4012/4885ATM 475/4885ALDH1A1 607/4885
US-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK EPHX1 796/4885ATM 569/4885ALDH1A1 4795/4885
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 EPHX1 2845/4885ATM 416/4885ALDH1A1 3678/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK EPHX1 796/4885ATM 569/4885ALDH1A1 4795/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 EPHX1 3083/4885ATM 2616/4885ALDH1A1 3054/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 EPHX1 4012/4885ATM 475/4885ALDH1A1 607/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 EPHX1 542/4885ATM 1782/4885ALDH1A1 2438/4885

“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.