SCHEMBL8928677

SCHEMBL8928677

COC(=O)c1sc(C(=O)CO)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
XDH P47989 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 1/20 0.37
OPRD1 P41143 1/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36

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
SCHEMBL577650 0.84 MAPT (0.45) KMT2AMAPTHSD17B10TSHRXDH
SCHEMBL577651 0.82 MAPT (0.44) KMT2AMAPTHSD17B10TSHRXDH
SCHEMBL29997056 0.79 OPRD1 (0.39) KMT2AMAPTHSD17B10TSHRXDH
SCHEMBL17203079 0.79 GSK3B (0.52) KMT2AMAPTL3MBTL1KDM4EGAA
SCHEMBL1561317 0.74 OPRD1 (0.43) MAPTTSHRXDHL3MBTL1LMNA
SCHEMBL7670938 0.73 TSHR (0.45) KMT2AMAPTHSD17B10TSHRXDH
SCHEMBL9529269 0.73 TSHR (0.45) KMT2AMAPTHSD17B10TSHRXDH
SCHEMBL3203700 0.73 PKM (0.47) KMT2AMAPTL3MBTL1LMNAKDM4E
SCHEMBL12018902 0.72 ALDH1A1 (0.44) KMT2AMAPTHSD17B10TSHRXDH
SCHEMBL11522285 0.72 MAPT (0.49) KMT2AMAPTHSD17B10TSHRXDH

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-8188134-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 KMT2A 784/4885MAPT 1279/4885HSD17B10 3981/4885

“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.