SCHEMBL19403430

SCHEMBL19403430

CC(C)(C)OC(=O)C[S@+]([O-])c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ PLA2G7 Q13093 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL22194886 1.00 NR1D1 (0.38) NR1D1KDM4ECTSSCTSKMTNR1A
SCHEMBL22194965 0.86 MIF (0.37) CTSSCTSKMTNR1AMTNR1BKMT2A
SCHEMBL22195024 0.86 NR1D1 (0.36) NR1D1MTNR1AMTNR1BMEN1MAPT
SCHEMBL19385915 0.86 MIF (0.37) CTSSCTSKMTNR1AMTNR1BKMT2A
SCHEMBL19403534 0.86 NR1D1 (0.36) NR1D1MTNR1AMTNR1BMEN1MAPT
SCHEMBL22194737 0.84 NPC1 (0.38) CTSSCTSKMTNR1AMTNR1BLMNA
SCHEMBL19386050 0.84 GAA (0.38) NR1D1LMNAMEN1CYP1A2MAPT
SCHEMBL6577170 0.84 GAA (0.38) NR1D1LMNAMEN1CYP1A2MAPT
SCHEMBL22194738 0.84 NPC1 (0.38) CTSSCTSKMTNR1AMTNR1BLMNA
SCHEMBL3625890 0.84 MTNR1A (0.37) KDM4ECTSSCTSKMTNR1AMTNR1B

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
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
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 NR1D1 2608/4885KDM4E 3083/4885CTSS 4277/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 NR1D1 3704/4885KDM4E 3216/4885CTSS 4087/4885

“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.

Send feedback