SCHEMBL19002773

SCHEMBL19002773

CCCCCCCNS(=O)(=O)c1ccsc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.50
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
RECQL P46063 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 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
SCHEMBL19002770 1.00 EDNRA (0.50) EDNRACA12CA9RECQLALDH1A1
SCHEMBL19002774 0.86 EDNRA (0.45) EDNRAALDH1A1POLBKMT2ATSHR
SCHEMBL21169275 0.84 EDNRA (0.43) EDNRACA12CA9POLBKMT2A
SCHEMBL14243082 0.83 MAPT (0.56) EDNRAPOLBKMT2ATSHRMEN1
SCHEMBL8927335 0.80 HTT (0.56) EDNRAALDH1A1KMT2ATSHRHTT
SCHEMBL14243513 0.79 PPARG (0.56) EDNRAALDH1A1KMT2ATSHRHTT
SCHEMBL29164906 0.79 EDNRA (0.51) EDNRAALDH1A1POLBKMT2ATSHR
SCHEMBL14243056 0.78 PPARG (0.52) EDNRAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL14243059 0.77 PPARG (0.60) EDNRAPOLBKMT2ATSHRMEN1
SCHEMBL14243505 0.77 PPARG (0.66) EDNRAKMT2ATSHRMEN1MAPT

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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 EDNRA 1680/4885CA12 3573/4885CA9 3587/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 EDNRA 1680/4885CA12 3573/4885CA9 3587/4885

“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.