SCHEMBL21354116

SCHEMBL21354116

Cc1csc(N/C=C(\CC(=O)O)C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FDPS P14324 1/20 0.40

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
SCHEMBL20187609 0.76 MAPT (0.41) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL20187610 0.76 MAPT (0.41) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL25222326 0.76 TSHR (0.40) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL4581966 0.71 KMT2A (0.57) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL10994816 0.70 MAPT (0.42) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL1691061 0.70 MAPT (0.68) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL11225467 0.69 MAPT (0.62) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL10993263 0.67 MAPT (0.45) RAB9ANPC1MAPTGAAALDH1A1
SCHEMBL10816647 0.67 RAB9A (0.71) RAB9ANPC1MAPTGAAKDM4E
SCHEMBL19994399 0.66 SMN1; SMN2 (0.65) RAB9ANPC1MAPTKDM4EHSD17B10

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
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 — — CN disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 — — EP disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 — — US disclosed
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 — — 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-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 RAB9A 4063/4885NPC1 1024/4885MAPT 3057/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 RAB9A 4063/4885NPC1 1024/4885MAPT 3057/4885

“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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