SCHEMBL23701603

SCHEMBL23701603

O=C1N[C@H](C(=O)NNC(=O)c2cc(F)c(F)cc2Nc2ccc(C(F)(F)F)cc2)CO1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.38
▸ EGFR P00533 2/20 0.37
▸ RXFP1 Q9HBX9 4/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ AR P10275 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTGES O14684 1/20 0.33

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
SCHEMBL23701640 0.88 RXFP1 (0.47) RXFP1AKR1C3AURKA
SCHEMBL22556416 0.88 RXFP1 (0.47) RXFP1AKR1C3AURKA
SCHEMBL22556419 0.88 RXFP1 (0.47) RXFP1AKR1C3AURKA
SCHEMBL22556313 0.72 AKR1C3 (0.46) EPHX2RXFP1AKR1C3AKR1C2CTSV
SCHEMBL23713156 0.71 RXFP1 (0.47) RXFP1AKR1C3AURKAKMT2AMEN1
SCHEMBL22556334 0.69 RXFP1 (0.53) RXFP1KMT2AMEN1POLBNPC1
SCHEMBL22556351 0.68 RXFP1 (0.47) RXFP1AKR1C3AURKA
SCHEMBL22556592 0.68 CFTR (0.50) EPHX2AKR1C3AKR1C2KMT2AMEN1
SCHEMBL22556514 0.67 FLT1 (0.34) KCNH2CACNA1CSCN5AARAKR1C3
SCHEMBL22556511 0.67 FLT1 (0.34) KCNH2CACNA1CSCN5AARAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 — — US disclosed
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 — — US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 — — US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 — — 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 (2 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-20210238154-A1 OXADIAZOLE COMPOUNDS YAP1, TEAD2, TEAD3 EPHX2 3695/4885EGFR 379/4885RXFP1 3511/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 EPHX2 3695/4885EGFR 379/4885RXFP1 3511/4885

“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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