SCHEMBL12513645

SCHEMBL12513645

CC(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
LIPA P38571 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
HCRTR2 O43614 1/20 0.31
GLA P06280 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL17391740 1.00 EPHX2 (0.36) EPHX2LIPAPI4KBHCRTR2GLA
SCHEMBL20869582 0.86 EPHX2 (0.31) EPHX2LIPA
SCHEMBL28649535 0.80 CHRNB2 (0.38) LIPAPI4KB
SCHEMBL13165512 0.79 MAPT (0.38) EPHX2
SCHEMBL76462 0.79
SCHEMBL13165462 0.79 MAPT (0.38) EPHX2
SCHEMBL2617044 0.79 MAPT (0.38) EPHX2
SCHEMBL671388 0.78 LMNA (0.43)
SCHEMBL19014108 0.78
SCHEMBL1835036 0.78 GLA (0.46) EPHX2LIPAGLAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751439-A ATF6 modulators and uses thereof 阿尔托斯实验室公司 2025-04-04 CN disclosed
CN-115087656-B ATF6 modulators and uses thereof 阿尔托斯实验室公司 2024-12-13 CN disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
CN-115087656-A ATF6 modulators and uses thereof 普拉西斯生物技术有限责任公司 2022-09-20 CN disclosed
WO-2021069721-A1 ATF6 MODULATORS AND USES THEREOF BLACK BELT TX LTD (GB) 2021-04-15 WO disclosed
CN-112424198-A Thiadiazine derivatives 吉瑞工厂 2021-02-26 CN disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2016-01-07 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP 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 (4 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B EPHX2 1713/4885LIPA 4590/4885PI4KB 3845/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 EPHX2 881/4885LIPA 2226/4885PI4KB 1113/4885
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY ENPP2, UACA, IAPP EPHX2 4612/4885LIPA 3660/4885PI4KB 533/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 EPHX2 881/4885LIPA 2226/4885PI4KB 1113/4885

“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.