SCHEMBL5434890

SCHEMBL5434890

COC(=O)c1cc(-c2ccc(F)cc2F)sc1NC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.44
JAK2 O60674 2/20 0.43
GABRA5 P31644 1/20 0.39
ALPL P05186 1/20 0.38
MAPK14 Q16539 3/20 0.37
MAPK1 P28482 2/20 0.37
GAK O14976 1/20 0.37
RPS6KA4 O75676 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1D P48730 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK10 P53779 1/20 0.37
DDR1 Q08345 1/20 0.37
MAPK11 Q15759 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
COQ8A Q8NI60 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37

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
SCHEMBL5435719 0.86 IKBKB (0.46) CHEK1JAK2
SCHEMBL5430675 0.84 CHEK1 (0.42) CHEK1GABRA5GAK
SCHEMBL5727993 0.84 CHEK1 (0.39) CHEK1JAK2GABRA5MAPK14MAPK1
SCHEMBL14505513 0.75 JAK2 (0.35) CHEK1JAK2GABRA5ALPLACKR3
SCHEMBL5434298 0.75 JAK2 (0.35) CHEK1JAK2GABRA5ALPLACKR3
SCHEMBL5434301 0.75 JAK2 (0.35) CHEK1JAK2GABRA5ALPLACKR3
SCHEMBL5430512 0.74 ALDH1A1 (0.57) CHEK1JAK2ALPLHSD17B1HSD17B2
SCHEMBL5429738 0.73 JAK2 (0.43) CHEK1JAK2ALPLHSD17B1HSD17B2
SCHEMBL14505526 0.73 CHEK1 (0.53) CHEK1MAP4K4ATM
SCHEMBL14505564 0.71 CHEK1 (0.41) CHEK1JAK2ALPLATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP CHEK1 2578/4885JAK2 554/4885GABRA5 4023/4885

“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.