SCHEMBL19385932

SCHEMBL19385932

Cn1c([S@@+]([O-])CC(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BRD4 O60885 1/20 0.36

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
SCHEMBL19385899 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHDAC6MAPTNPC1
SCHEMBL19403736 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHDAC6MAPTNPC1
SCHEMBL19385883 0.84 KDM4E (0.48) ALDH1A1KDM4EHDAC6NPC1RAB9A
SCHEMBL19403444 0.84 KDM4E (0.48) ALDH1A1KDM4EHDAC6NPC1RAB9A
SCHEMBL20892356 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHDAC6MAPTNPC1
SCHEMBL19403445 0.80 KMT2A (0.45) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL20875226 0.72 PAX8 (0.44) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL19403461 0.72 PAX8 (0.44) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL20892278 0.71 MTNR1A (0.37) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL3625890 0.71 MTNR1A (0.37) ALDH1A1KDM4ENPC1RAB9AKMT2A

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-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
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 — — 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 ALDH1A1 1230/4885KDM4E 3083/4885HDAC6 2178/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 ALDH1A1 1492/4885KDM4E 3216/4885HDAC6 2799/4885

“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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