SCHEMBL10170739

SCHEMBL10170739

COc1ccc(-c2sc3cc(OC)ccc3c2-c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.57
▸ TUBB4A P04350 2/20 0.52
▸ TUBB P07437 2/20 0.52
▸ TUBA3C P0DPH7 2/20 0.52
▸ TUBA1B P68363 2/20 0.52
▸ TUBA4A P68366 2/20 0.52
▸ TUBB4B P68371 2/20 0.52
▸ TUBB3 Q13509 2/20 0.52
▸ TUBB2A Q13885 2/20 0.52
▸ TUBB8 Q3ZCM7 2/20 0.52
▸ TUBA3E Q6PEY2 2/20 0.52
▸ TUBA1A Q71U36 2/20 0.52
▸ TUBA1C Q9BQE3 2/20 0.52
▸ TUBB6 Q9BUF5 2/20 0.52
▸ TUBB2B Q9BVA1 2/20 0.52
▸ TUBB1 Q9H4B7 2/20 0.52
▸ ESR2 Q92731 2/20 0.50
▸ APP P05067 1/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ PAX8 Q06710 1/20 0.48

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
SCHEMBL7101117 0.87 L3MBTL1 (0.50) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16346487 0.83 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7936791 0.83 PRNP (0.55) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7944332 0.83 TUBB4A (0.49) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8158106 0.82 TUBB4A (0.72) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7075354 0.81 CNR1 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1665792 0.81 CNR1 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8640626 0.81 HSP90AA1 (0.50) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1680034 0.80 F2 (0.53) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7080421 0.80 ESR1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 — — US disclosed
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 — — US disclosed
EP-2655367-B1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME (NL) 2016-07-06 — — EP disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 — — US disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 — — US disclosed
WO-2012084711-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MSD OSS B.V. (NL) 2012-06-28 — — 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-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES ESR2, ESR1, GPER1 HSP90AA1 2909/4885TUBB4A 3830/4885TUBB 3551/4885

“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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