SCHEMBL22556446

SCHEMBL22556446

CCOC(=O)C(C)(C)c1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.44
TP53 P04637 1/20 0.41
DHODH Q02127 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
GPR119 Q8TDV5 3/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL22556567 0.90 ABCG2 (0.44) ABCG2TP53DHODHNPSR1MEN1
SCHEMBL22556437 0.86 ABCG2 (0.46) ABCG2TP53MEN1ALDH1A1KMT2A
SCHEMBL22556542 0.85 ABCG2 (0.48) ABCG2TP53MEN1ALDH1A1KMT2A
SCHEMBL22556506 0.83 ABCG2 (0.48) ABCG2TP53DHODHNPSR1MEN1
SCHEMBL22556552 0.82 ABCG2 (0.42) ABCG2TP53MEN1ALDH1A1KMT2A
SCHEMBL22556572 0.82 ABCG2 (0.46) ABCG2TP53NPSR1MEN1ALDH1A1
SCHEMBL22556576 0.82 ABCG2 (0.42) ABCG2TP53NPSR1ALDH1A1THRB
SCHEMBL30463813 0.82 SMN1; SMN2 (0.54) ABCG2TP53DHODHNPSR1MEN1
SCHEMBL25528856 0.81 GSK3B (0.42) ABCG2TP53NPSR1MEN1ALDH1A1
SCHEMBL22556515 0.81 ABCG2 (0.44) ABCG2TP53NPSR1MEN1ALDH1A1

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 7 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
EP-3793551-A1 OXADIAZOLE COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-03-24 EP disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 WO disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 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 (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 ABCG2 2985/4885TP53 4/4885DHODH 2248/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 ABCG2 2985/4885TP53 4/4885DHODH 2248/4885

“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.