SCHEMBL20875226

SCHEMBL20875226

CC(C)(C)OC(=O)C[S+]([O-])c1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL19403461 1.00 PAX8 (0.44) PAX8LMNAKDM4EHPGDALDH1A1
SCHEMBL9211255 0.82 POLB (0.38) LMNAKDM4EALDH1A1MAPTGAA
SCHEMBL25759375 0.81 MAPT (0.50) LMNAKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL11429532 0.80 SMN1; SMN2 (0.48) HPGDALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL10926335 0.76 MAPT (0.52) KDM4EALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL11499868 0.74 SMN1; SMN2 (0.39) HPGDALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL20892278 0.72 MTNR1A (0.37) KDM4EALDH1A1L3MBTL1CYP2C19MEN1
SCHEMBL3625890 0.72 MTNR1A (0.37) KDM4EALDH1A1L3MBTL1CYP2C19MEN1
SCHEMBL19385934 0.72 HPGD (0.69) LMNAKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL19385932 0.72 ALDH1A1 (0.44) LMNAKDM4EHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 — — US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 — — 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 PAX8 3387/4885LMNA 4878/4885KDM4E 3083/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 PAX8 3542/4885LMNA 4878/4885KDM4E 3216/4885

“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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