SCHEMBL12425824

SCHEMBL12425824

COC(=O)N[C@@H]1CCC(C)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.43
BTK Q06187 1/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
JAK1 P23458 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
G6PD P11413 2/20 0.35
MAPT P10636 1/20 0.35
JAK2 O60674 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 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
SCHEMBL15014513 1.00 EPHX1 (0.43) EPHX1BTKTSHRL3MBTL1GAA
SCHEMBL23379074 1.00 EPHX1 (0.43) EPHX1BTKTSHRL3MBTL1GAA
SCHEMBL14864808 1.00 EPHX1 (0.43) EPHX1BTKTSHRL3MBTL1GAA
SCHEMBL13698908 0.87 EPHX1 (0.55) EPHX1GAAKDM4EALDH1A1TAS1R3
SCHEMBL5949945 0.87 EPHX1 (0.55) EPHX1GAAKDM4EALDH1A1TAS1R3
SCHEMBL12385850 0.87 EPHX1 (0.55) EPHX1GAAKDM4EALDH1A1TAS1R3
SCHEMBL5949330 0.85 TSHR (0.39) EPHX1BTKTSHRKDM4EALDH1A1
SCHEMBL27325974 0.85 TSHR (0.39) EPHX1BTKTSHRKDM4EALDH1A1
SCHEMBL8464579 0.82 EPHX1 (0.46) EPHX1TSHRKDM4EALDH1A1MAPT
SCHEMBL2050427 0.82

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-20230278987-A1 Antimicrobial Compounds and Methods CURZA GLOBAL, LLC. 2023-09-07 US disclosed
WO-2021097061-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2021-05-20 WO disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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 (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-20230278987-A1 Antimicrobial Compounds and Methods CLPP, RPN2, MPO EPHX1 4359/4885BTK 2796/4885TSHR 4655/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 EPHX1 650/4885BTK 690/4885TSHR 1082/4885

“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.