SCHEMBL21169192

SCHEMBL21169192

Cc1noc(C)c1COc1cccc(CCS)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TSHR P16473 4/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 3/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.46
RAC1 P63000 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL23222105 0.88 ALDH1A1 (0.54) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL19002336 0.85 ALDH1A1 (0.56) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL18997085 0.82 ALDH1A1 (0.58) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL19287101 0.75 ALDH1A1 (0.62) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL28588209 0.74 GAA (0.72) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL30165933 0.74 GAA (0.72) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL31217534 0.73 ALDH1A1 (0.70) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL32676013 0.73 AKR1C3 (0.56) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL28915156 0.72 ALDH1A1 (0.72) ALDH1A1TSHRHPGDMAPTATM
SCHEMBL20023078 0.72 MAPT (0.67) ALDH1A1TSHRHPGDMAPTATM

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 ALDH1A1 2861/4885TSHR 4428/4885HPGD 253/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885TSHR 4461/4885HPGD 365/4885

“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.