SCHEMBL5435729

SCHEMBL5435729

COC(=O)c1cc(-c2ccc(F)c(F)c2)sc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHEK1 O14757 4/20 0.41
ATR Q13535 1/20 0.40
IKBKB O14920 3/20 0.40
JAK2 O60674 1/20 0.40
EIF2AK2 P19525 1/20 0.40

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
SCHEMBL5430509 0.89 IKBKB (0.52) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL5728430 0.84 CYP17A1 (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL3496455 0.84 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL5429738 0.84 JAK2 (0.43) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL3498965 0.82 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL5728133 0.82 CYP17A1 (0.40) ALDH1A1GAACYP17A1
SCHEMBL3498603 0.80 KDM4E (0.54) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL5431828 0.76 MAPT (0.66) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL3497369 0.75 ATR (0.46) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL3500334 0.75 HSD17B10 (0.44) ALDH1A1HPGDHSD17B10CASP1CASP7

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 ALDH1A1 1246/4885HPGD 2665/4885HSD17B10 2854/4885

“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.