SCHEMBL12995641

SCHEMBL12995641

CC(C)(C)OC(=O)N1CCC(NC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ EPHX2 P34913 3/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL12995650 0.93 HSD11B1 (0.51) EPHX1CA1CA2HDAC4CYP2C9
SCHEMBL12995653 0.85 DRD2 (0.46) EPHX1L3MBTL1CA1CA2KMT2A
SCHEMBL18926997 0.82 EPHX1 (0.70) EPHX1ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL2016955 0.81 EPHX1 (0.68) EPHX1ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL7051016 0.81 EPHX1 (0.45) EPHX1ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL5494939 0.80 HPGD (0.52) EPHX1MAPTNPC1RAB9AKDM4E
SCHEMBL12995623 0.79 USP2 (0.49) ALDH1A1MAPTHTTEPHX2KDM4E
SCHEMBL28672973 0.79 EPHX1 (0.43) EPHX1ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL28672971 0.79 EPHX1 (0.43) EPHX1ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL28679422 0.79 EPHX1 (0.43) EPHX1ALDH1A1MAPTL3MBTL1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
US-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives BASILEA PHARMACEUTICA AG 2010-12-02 — — US disclosed
US-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives BASILEA PHARMACEUTICA AG 2010-12-02 — — US disclosed
WO-2009071638-A2 PROCESS FOR THE PREPARATION OF 2-(PRIMARY/SECONDARY AMINO)HYDROCARBYL)- CARBAMOYL-7-OXO-2,6-DIAZA-BICYCLO[3.2.0.]HEPTANE-6-SULFONIC ACID DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2009-06-11 — — 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 (2 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP EPHX1 4681/4885ALDH1A1 4385/4885MAPT 1129/4885
US-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives C9, THOC2, ODC1 EPHX1 3517/4885ALDH1A1 2490/4885MAPT 4205/4885

“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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