SCHEMBL20133901

SCHEMBL20133901

COC(=O)C(S)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CES2 O00748 1/20 0.42
LMNA P02545 1/20 0.42
CES1 P23141 1/20 0.42
SRC P12931 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ESRRB O95718 1/20 0.41
HTT P42858 1/20 0.41
ROCK2 O75116 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL11097672 0.83 KMT2A (0.44) KMT2ATSHRPTGS1PTGS2GAA
SCHEMBL3048237 0.81 KMT2A (0.49) KMT2ATSHRPTGS1PTGS2GAA
SCHEMBL2417683 0.81 TDP1 (0.56) KMT2ATSHRGAATDP1L3MBTL1
SCHEMBL8845741 0.80 KMT2A (0.55) KMT2ATSHRPTGS1PTGS2GAA
SCHEMBL2097359 0.80 KMT2A (0.55) KMT2ATSHRPTGS1PTGS2GAA
SCHEMBL6662043 0.78 KMT2A (0.53) KMT2ATSHRPTGS1PTGS2GAA
SCHEMBL7735376 0.78 KMT2A (0.53) KMT2ATSHRPTGS1PTGS2GAA
SCHEMBL16453798 0.78 KMT2A (0.53) KMT2ATSHRPTGS1PTGS2GAA
SCHEMBL5274104 0.77 TDP1 (0.52) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL7207824 0.77 TDP1 (0.52) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 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 (1 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KMT2A 720/4885TSHR 1513/4885PTGS1 4293/4885

“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.