SCHEMBL7945789

SCHEMBL7945789

Oc1ccc(-c2sc3cc(O)ccc3c2Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 17/20 0.52
▸ HDAC3 O15379 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ NCOR2 Q9Y618 2/20 0.44
▸ ESR2 Q92731 4/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30610951 0.93 ESR1 (0.47) ESR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL20425286 0.93 ESR1 (0.47) ESR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL30610954 0.90 ESR1 (0.60) ESR1ESR2
SCHEMBL20425311 0.90 ESR1 (0.60) ESR1ESR2
SCHEMBL7936824 0.86 ESR1 (0.56) ESR1ESR2TDP1
SCHEMBL7944332 0.83 TUBB4A (0.49) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL7352370 0.82 MEN1 (0.51) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL8637183 0.79 ESR1 (0.60) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL7946164 0.79 ESR1 (0.52) ESR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL4508297 0.77 ESR1 (0.36) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 — — US claimed
US-6087378-A THE ACTIVE BENZO(B)THIOPHENE COMPOUNDS FOR TREATING OSTEOPOROSIS AND CARDIOVASCULAR DISORDERS, ESPECIALLY HYPERLIPIDEMIA ELI LILLY AND COMPANY (US) 2000-07-11 — — US claimed
EP-3016947-B1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-09-05 — — EP disclosed
US-9988376-B2 Benzothiophene derivatives as estrogen receptor inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-05 — — US disclosed
US-9988376-B2 Benzothiophene derivatives as estrogen receptor inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-05 — — US disclosed
US-20160368911-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 — — US disclosed
US-20160368911-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 — — US disclosed
US-20160368911-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 — — US disclosed
EP-3016947-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-05-11 — — EP disclosed
WO-2015000867-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-01-08 — — WO disclosed
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 — — US disclosed
US-6087378-A THE ACTIVE BENZO(B)THIOPHENE COMPOUNDS FOR TREATING OSTEOPOROSIS AND CARDIOVASCULAR DISORDERS, ESPECIALLY HYPERLIPIDEMIA ELI LILLY AND COMPANY (US) 2000-07-11 — — 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-20160368911-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS ESR1, GPER1, ESR2 ESR1 1/4885HDAC3 1565/4885HDAC1 874/4885

“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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