SCHEMBL20780326

SCHEMBL20780326

COc1ccc([S+](C)[O-])cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2D6 P10635 2/20 0.38
THRB P10828 1/20 0.38
RORC P51449 1/20 0.38
ADRA2A P08913 2/20 0.36
ADRA1A P35348 2/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL22222398 0.83 TSHR (0.36) ALDH1A1TSHRMAPTGAACYP2D6
SCHEMBL7322411 0.79 CA2 (0.46) ALDH1A1TSHRPOLBCA1CA2
SCHEMBL7322406 0.79 CA2 (0.46) ALDH1A1TSHRPOLBCA1CA2
SCHEMBL14137007 0.76 ACHE (0.39) ALDH1A1TSHRMAPTGAAMAPK1
SCHEMBL23664861 0.74 GABRA1 (0.32)
SCHEMBL18754180 0.74 ALDH1A1 (0.46) ALDH1A1MAPTPOLBCYP2D6MEN1
SCHEMBL15035952 0.72 ALDH1A1 (0.37) ALDH1A1GAAADRA1AMEN1KMT2A
SCHEMBL29591727 0.71 ACHE (0.58) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL487152 0.71 CYP2D6 (0.67) ALDH1A1MAPTGAACA1CA2
SCHEMBL739698 0.71 HDAC4 (0.48) ALDH1A1TSHRPOLBGAAGFER

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-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 US disclosed
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO disclosed
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 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-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 ALDH1A1 1235/4885TSHR 3773/4885MAPT 3073/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 ALDH1A1 1235/4885TSHR 3773/4885MAPT 3073/4885

“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.