SCHEMBL16277410

SCHEMBL16277410

Cc1cc(C(=O)O)c(I)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NOTUM Q6P988 2/20 0.38
▸ TTR P02766 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ MAP2K1 Q02750 5/20 0.37
▸ MAP2K2 P36507 2/20 0.36
▸ ASPH Q12797 1/20 0.36
▸ KDM8 Q8N371 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ HMGB1 P09429 1/20 0.35
▸ CXCL12 P48061 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35

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
SCHEMBL16277463 0.92 KEAP1 (0.40) KDM4EHSD17B10GAAHPGDNOTUM
SCHEMBL10597044 0.83 KDM4E (0.45) KDM4EHSD17B10GAAHPGDNOTUM
SCHEMBL6827838 0.83 KEAP1 (0.45) KDM4ETTRALDH1A1IDO1MAP2K1
SCHEMBL3436916 0.83 KDM4E (0.45) KDM4EHSD17B10GAAHPGDNOTUM
SCHEMBL24597721 0.81 KDM4E (0.44) KDM4EHSD17B10GAAHPGDNOTUM
SCHEMBL19866316 0.81 TP53 (0.41) KDM4ETTRALDH1A1MAP2K1MAP2K2
SCHEMBL11948576 0.81 KDM4E (0.44) KDM4EHSD17B10GAAHPGDNOTUM
SCHEMBL12931050 0.81 KDM4E (0.44) KDM4EHSD17B10GAAHPGDNOTUM
SCHEMBL6119233 0.78 GRM1 (0.51) KDM4EHSD17B10GAAHPGDTTR
SCHEMBL19399612 0.77 KEAP1 (0.44) KDM4EHSD17B10GAAHPGDNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180332-B1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS INC (US) 2021-10-27 — — EP disclosed
US-10221170-B2 Difluoropyrrolidines as orexin receptor modulators EOLAS THERAPEUTICS, INC. (US) 2019-03-05 — — US disclosed
US-20170226103-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2017-08-10 — — US disclosed
EP-3180332-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS Eolas Therapeutics Inc. (US) 2017-06-21 — — EP disclosed
US-9440982-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-09-13 — — US disclosed
WO-2016025669-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. (US) 2016-02-18 — — WO disclosed
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 — — WO disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 — — 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-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 KDM4E 967/4885HSD17B10 1935/4885GAA 2148/4885
US-10221170-B2 Difluoropyrrolidines as orexin receptor modulators HCRTR2, OPRD1, HCRTR1 KDM4E 1535/4885HSD17B10 3417/4885GAA 1939/4885
US-20170226103-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, OPRD1, HCRTR1 KDM4E 1535/4885HSD17B10 3417/4885GAA 1939/4885

“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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