SCHEMBL20875155

SCHEMBL20875155

CC(C)(C)OC(=O)C[S+]([O-])Cc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
RIPK1 Q13546 1/20 0.39
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.33
KDM1A O60341 1/20 0.33
PARP10 Q53GL7 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
IDO1 P14902 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL19403376 1.00 CTSS (0.40) CTSSCTSKRAB9ANPC1KMT2A
SCHEMBL20875153 0.84 MAOB (0.38) KMT2AMEN1HTTMTNR1AMTNR1B
SCHEMBL19403479 0.84 MAOB (0.38) KMT2AMEN1HTTMTNR1AMTNR1B
SCHEMBL22195002 0.83 KMT2A (0.36) CTSKRAB9ANPC1KMT2AMEN1
SCHEMBL30762345 0.83 MTNR1A (0.36) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL19403481 0.83 KMT2A (0.36) CTSKRAB9ANPC1KMT2AMEN1
SCHEMBL29131360 0.83 MTNR1A (0.36) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL22194925 0.80 CA12 (0.40) CTSSCTSKRAB9ANPC1KMT2A
SCHEMBL19403533 0.80 CA12 (0.40) CTSSCTSKRAB9ANPC1KMT2A
SCHEMBL19385851 0.77 ALDH1A1 (0.40) KMT2ARIPK1ALDH1A1PARP10IDO1

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 CTSS 4277/4885CTSK 4228/4885RAB9A 4286/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 CTSS 4087/4885CTSK 3973/4885RAB9A 4362/4885

“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.