SCHEMBL14009296

SCHEMBL14009296

COc1ccc(N(C)C(=O)c2ccc(C(=O)O)s2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 14/20 0.47
▸ HSD17B1 P14061 11/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CLK1 P49759 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GLA P06280 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
SCHEMBL22887378 0.76 HSD17B2 (0.49) HSD17B2HSD17B1KDM4ETP53MAPT
SCHEMBL14925281 0.75 KMT2A (0.46) HSD17B2HSD17B1SMN1; SMN2
SCHEMBL6018827 0.72 HPGD (0.59) HSD17B2HSD17B1KDM4EMAPTSMN1; SMN2
SCHEMBL14009320 0.72 MEN1 (0.52) TP53MAPTSMN1; SMN2
SCHEMBL2205243 0.71 LMNA (0.48) HSD17B2HSD17B1KDM4EMAPTSMN1; SMN2
SCHEMBL11130491 0.70 HSD17B2 (0.48) HSD17B2HSD17B1KDM4EMAPTCLK1
SCHEMBL11418912 0.69 HSD17B1 (0.36) HSD17B2HSD17B1KDM4ETP53MAPT
SCHEMBL13983930 0.69 CLK1 (0.49) TP53CLK1DYRK1ADYRK1B
SCHEMBL18509952 0.68 AKR1C3 (0.44) KDM4E
SCHEMBL9020581 0.68 CA12 (0.42) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
WO-2007022258-A1 NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 — — 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 (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-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 HSD17B2 1423/4885HSD17B1 1891/4885KDM4E 638/4885

“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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