SCHEMBL577919

SCHEMBL577919

COC(=O)c1sc(C(=O)O)cc1OC(C)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.46
PLK3 Q9H4B4 9/20 0.46
IKBKE Q14164 2/20 0.46
CDK2 P24941 1/20 0.46
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
RORC P51449 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL577918 0.94 PLK1 (0.46) PLK1PLK3IKBKECDK2MAPT
SCHEMBL8929156 0.92 PLK1 (0.45) PLK1PLK3IKBKECDK2MAPT
SCHEMBL8929320 0.86 PLK1 (0.41) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL4552924 0.86 PLK1 (0.48) PLK1PLK3IKBKECDK2MAPT
SCHEMBL2973598 0.86 PLK1 (0.48) PLK1PLK3IKBKECDK2MAPT
SCHEMBL1373718 0.86 PLK1 (0.46) PLK1PLK3IKBKECDK2MAPT
SCHEMBL578058 0.85 PLK1 (0.41) PLK1PLK3IKBKECDK2MAPT
SCHEMBL2986978 0.82 ALDH1A1 (0.43) PLK1PLK3IKBKECDK2MAPT
SCHEMBL1370903 0.79 KMT2A (0.51) PLK1PLK3IKBKECDK2MAPT
SCHEMBL4191139 0.79 PLK1 (0.50) PLK1PLK3IKBKECDK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007757-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-10-03 EP disclosed
US-8188134-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
EP-2418210-A1 Thiophene-carboxamides useful as inhibitors of protein kinases Vertex Pharmceuticals Incorporated (US) 2012-02-15 EP disclosed
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7829590-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2010-11-09 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 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-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 PLK1 119/4885PLK3 469/4885IKBKE 376/4885
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 PLK1 119/4885PLK3 469/4885IKBKE 376/4885

“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.