SCHEMBL4209935

SCHEMBL4209935

COc1ccc(-c2cc(C(=O)NCC3CCCO3)c(NC(N)=O)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.59
▸ HPGD P15428 6/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ GAA P10253 3/20 0.55
▸ CASP1 P29466 3/20 0.54
▸ CASP7 P55210 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ GLA P06280 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ HTT P42858 2/20 0.52

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
SCHEMBL4224398 0.82 CHEK1 (0.59) CHEK1
SCHEMBL4212981 0.81 CHEK1 (0.61) CHEK1
SCHEMBL4213168 0.80 CHEK1 (0.79) CHEK1
SCHEMBL1927160 0.79 CHEK1 (0.64) CHEK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4209779 0.78 CHEK1 (0.77) CHEK1
SCHEMBL4221790 0.78 CHEK1 (0.71) CHEK1
SCHEMBL4218805 0.78 CHEK1 (0.73) CHEK1KMT2A
SCHEMBL4218440 0.78 CHEK1 (0.67) CHEK1
SCHEMBL4218432 0.78 CHEK1 (0.67) CHEK1
SCHEMBL4224420 0.77 CHEK1 (0.68) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US claimed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US claimed
JP-2007502308-A — — 2007-02-08 — — JP claimed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 — — US claimed
EP-1660474-A1 SUBSTITUTED THIOPHENES AND USES THEREOF AstraZeneca AB (SE) 2006-05-31 — — EP claimed
WO-2005016909-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2005-02-24 — — WO claimed
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 — — US disclosed
EP-1660474-A1 SUBSTITUTED THIOPHENES AND USES THEREOF AstraZeneca AB (SE) 2006-05-31 — — EP disclosed
WO-2005016909-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2005-02-24 — — WO 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-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP CHEK1 297/4885HPGD 808/4885SMN1; SMN2 3885/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT CHEK1 602/4885HPGD 1838/4885SMN1; SMN2 2683/4885

“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.

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