SCHEMBL22776597

SCHEMBL22776597

COC(=O)CC12CC(NC(=O)c3n[nH]c4cccc(Cc5ccc(C(F)(F)F)cc5)c34)(C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ MAPK10 P53779 2/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ FFAR2 O15552 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ EPAS1 Q99814 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDR P35968 1/20 0.31

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
SCHEMBL29614550 1.00 GSK3B (0.38) GSK3BMAPK10OPRL1CRHR1CNR1
SCHEMBL29527365 0.91 HIF1A (0.35) GSK3BMAPK10CRHR1CNR1CNR2
SCHEMBL22776728 0.91 HIF1A (0.35) GSK3BMAPK10CRHR1CNR1CNR2
SCHEMBL22791469 0.85 GSK3B (0.38) GSK3BMAPK10OPRL1CRHR1HTR1A
SCHEMBL22791527 0.85 GSK3B (0.38) GSK3BMAPK10OPRL1CRHR1HTR1A
SCHEMBL22776453 0.81 PTGER4 (0.34) OPRL1CNR1CNR2
SCHEMBL22791354 0.81 YTHDC1 (0.46) GSK3BMAPK10CRHR1HTR1ADRD2
SCHEMBL22777101 0.80 HTR4 (0.36) OPRL1
SCHEMBL22776491 0.79 FPR1 (0.33) OPRL1L3MBTL1
SCHEMBL22791528 0.78 GSK3B (0.36) GSK3BMAPK10CRHR1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324803-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS INC (US) 2022-10-13 — — US disclosed
EP-3983412-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-04-20 — — EP disclosed
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — 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 (1 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-20220324803-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF PTGER4, PTGER1, PTGER2 GSK3B 4319/4885MAPK10 2454/4885OPRL1 64/4885

“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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