SCHEMBL19385883

SCHEMBL19385883

CCOC(=O)C[S@+]([O-])c1nc2ccccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ GAA P10253 2/20 0.47
▸ PSMD14 O00487 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ HPGD P15428 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ UBA2 Q9UBT2 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL19403444 1.00 KDM4E (0.48) KDM4EHSD17B10GAAPSMD14NPC1
SCHEMBL19403445 0.88 KMT2A (0.45) KDM4EHSD17B10GAARAB9AALDH1A1
SCHEMBL19385899 0.87 ALDH1A1 (0.45) KDM4EHSD17B10NPC1RAB9AALDH1A1
SCHEMBL19403736 0.87 ALDH1A1 (0.45) KDM4EHSD17B10NPC1RAB9AALDH1A1
SCHEMBL20892356 0.87 ALDH1A1 (0.43) KDM4EHSD17B10GAANPC1RAB9A
SCHEMBL19385932 0.84 ALDH1A1 (0.44) KDM4EHSD17B10GAANPC1RAB9A
SCHEMBL7018296 0.75 RAB9A (0.58) KDM4EHSD17B10GAAPSMD14NPC1
SCHEMBL32688299 0.73 KDM4E (0.57) KDM4EHSD17B10GAAPSMD14NPC1
SCHEMBL19403443 0.72 PSMD14 (0.75) GAAPSMD14ALDH1A1HPGDHTT
SCHEMBL19385881 0.72 HDAC6 (0.46) KDM4EGAANPC1RAB9AALDH1A1

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 5 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-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
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 KDM4E 3083/4885HSD17B10 663/4885GAA 3971/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 KDM4E 3216/4885HSD17B10 705/4885GAA 4168/4885

“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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