SCHEMBL2118779

SCHEMBL2118779

Cc1ncc(C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
SORT1 Q99523 2/20 0.42
XPO1 O14980 2/20 0.41
ASPH Q12797 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 7/20 0.40
ATF1 P18846 5/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 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
SCHEMBL18081471 0.86 NFKB1 (0.51) KDM4EXPO1NFKB1ATF1JUN
SCHEMBL3066551 0.84 KDM4E (0.46) KDM4EXPO1NFKB1ATF1JUN
SCHEMBL1015354 0.84 HPGD (0.42) KDM4ESORT1HPGDGABRPGABRD
SCHEMBL8544671 0.80 XPO1 (0.42) KDM4EXPO1ASPHNFKB1ATF1
SCHEMBL9564859 0.80 XPO1 (0.46) KDM4EXPO1ASPHNFKB1ATF1
SCHEMBL8546804 0.80 NFKB1 (0.56) KDM4EXPO1ASPHHPGDNFKB1
SCHEMBL2119119 0.79 KDM4E (0.74) KDM4EHPGDNFKB1ATF1JUN
SCHEMBL4888133 0.79 KDM4E (0.61) KDM4EXPO1ASPHHPGDNFKB1
SCHEMBL480176 0.79 XPO1 (0.62) XPO1NFKB1ATF1JUNNFKB2
SCHEMBL25398005 0.78 LMNA (0.55) KDM4EXPO1ASPHNFKB1ATF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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 (3 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-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR WDR5, WDR1, WDR3 KDM4E 202/4885SORT1 4390/4885XPO1 1133/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 KDM4E 1932/4885SORT1 2229/4885XPO1 2573/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN KDM4E 4144/4885SORT1 4068/4885XPO1 1239/4885

“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.