SCHEMBL20875153

SCHEMBL20875153

Cc1ccccc1C[S+]([O-])CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CTBP2 P56545 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
JAK2 O60674 1/20 0.33
S1PR4 O95977 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
XBP1 P17861 1/20 0.33
S1PR1 P21453 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
SCHEMBL19403479 1.00 MAOB (0.38) MAOBLMNATSHRKMT2AGAA
SCHEMBL20875155 0.84 CTSS (0.40) TSHRKMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL29131360 0.84 MTNR1A (0.36) ALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL22195002 0.84 KMT2A (0.36) MAOBLMNATSHRKMT2AALDH1A1
SCHEMBL19403481 0.84 KMT2A (0.36) MAOBLMNATSHRKMT2AALDH1A1
SCHEMBL19403376 0.84 CTSS (0.40) TSHRKMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL30762345 0.84 MTNR1A (0.36) ALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL22194925 0.81 CA12 (0.40) TSHRKMT2AMTNR1AMTNR1BL3MBTL1
SCHEMBL19403533 0.81 CA12 (0.40) TSHRKMT2AMTNR1AMTNR1BL3MBTL1
SCHEMBL18323989 0.79 GAA (0.43) MAOBLMNAKMT2AGAATAS2R14

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 MAOB 476/4885LMNA 4878/4885TSHR 3951/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 MAOB 305/4885LMNA 4878/4885TSHR 3836/4885

“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.