SCHEMBL19602396

SCHEMBL19602396

COC(=O)c1ccc(COC(=O)[C@@H](N)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ LOXL2 Q9Y4K0 1/20 0.54
▸ PKM P14618 1/20 0.50
▸ MAPT P10636 5/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47

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
SCHEMBL19602392 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1ALDH1A1KDM4EGAA
SCHEMBL23542725 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1ALDH1A1KDM4EGAA
SCHEMBL22856632 0.84 RXRA (0.50) SMN1; SMN2NPC1ALDH1A1MAPTKMT2A
SCHEMBL23847807 0.84 SMN1; SMN2 (0.60) SMN1; SMN2NPC1ALDH1A1KDM4EGAA
SCHEMBL29748635 0.81 ALDH1A1 (0.50) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A
SCHEMBL13485170 0.81 RAB9A (0.46) NPC1ALDH1A1KDM4EMAPK1MAPT
SCHEMBL24785638 0.81 RAB9A (0.46) NPC1ALDH1A1KDM4EMAPK1MAPT
SCHEMBL12764122 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1ALDH1A1KDM4EGAA
SCHEMBL24049985 0.80 CYP3A4 (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL8254586 0.80 SLC15A1 (0.45) SMN1; SMN2NPC1KDM4EGAATSHR

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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 — — US disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 — — US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 — — 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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 SMN1; SMN2 442/4885NPC1 1483/4885ALDH1A1 585/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 SMN1; SMN2 442/4885NPC1 1483/4885ALDH1A1 585/4885

“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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