SCHEMBL18740293

SCHEMBL18740293

COC(=O)c1c(C(F)(F)F)nn(CCCO)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
PLAT P00750 1/20 0.36

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
SCHEMBL18740019 0.92 GAA (0.38) GAANPC1PKMGABRPGABRD
SCHEMBL21474421 0.88 KDM4E (0.38) GAANPC1PKMGABRPGABRD
SCHEMBL18740040 0.83 PLAT (0.33) GAANPC1PKMGABRPGABRD
SCHEMBL18740230 0.80 GAA (0.34) GAANPC1PKMGABRPGABRD
SCHEMBL4625215 0.79 NPC1 (0.48) GAANPC1PKMGABRPGABRD
SCHEMBL18740061 0.75 LMNA (0.35) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL28240689 0.73 SCN5A (0.36) GAAALDH1A1HTTSCN5ASCN9A
SCHEMBL22286228 0.71 MAPK1 (0.46) GAANPC1PKMGABRPGABRD
SCHEMBL20551457 0.71 MAPK1 (0.41) GAANPC1PKMGABRPGABRD
SCHEMBL10572038 0.68 HPGD (0.67) NPC1PKMGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434246-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-09-06 US disclosed
EP-3362454-B1 EP4 ANTAGONISTS EISAI R&D MAN CO LTD (JP) 2021-12-08 EP disclosed
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 US disclosed
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 US disclosed
CN-108473497-B EP4 antagonists 卫材R&D 管理有限公司 2021-09-10 CN disclosed
US-10941148-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-09 US disclosed
US-10941148-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-09 US disclosed
US-20190315754-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-10-17 US disclosed
US-20190315754-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-10-17 US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 US disclosed
US-20180305362-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-25 US disclosed
EP-3362454-A1 EP4 ANTAGONISTS Eisai R&D Management Co., Ltd. (JP) 2018-08-22 EP disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 WO disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 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 (6 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-11434246-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 GAA 4840/4885NPC1 1614/4885PKM 1460/4885
US-20180305362-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 GAA 4840/4885NPC1 1614/4885PKM 1460/4885
US-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 GAA 4840/4885NPC1 1614/4885PKM 1460/4885
US-10941148-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 GAA 4840/4885NPC1 1614/4885PKM 1460/4885
US-20190315754-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 GAA 4840/4885NPC1 1614/4885PKM 1460/4885
US-20210347779-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 GAA 4840/4885NPC1 1614/4885PKM 1460/4885

“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.