SCHEMBL3224084

SCHEMBL3224084

O=C(CCO)c1cccs1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.80
▸ LMNA P02545 3/20 0.80
▸ KMT2A Q03164 3/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ NPC1 O15118 2/20 0.80
▸ RAB9A P51151 2/20 0.80
▸ POLB P06746 1/20 0.80
▸ HPGD P15428 5/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ PKM P14618 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ GSK3B P49841 1/20 0.62
▸ CTNNB1 P35222 6/20 0.57
▸ WNT3A P56704 5/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ERCC5 P28715 1/20 0.56

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
SCHEMBL2216212 0.89 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL18906067 0.88 ALDH1A1 (0.74) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL22721189 0.85 ALDH1A1 (0.83) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL8521100 0.83 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL6197414 0.83 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL6423116 0.83 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL23855456 0.83 — —
SCHEMBL13562576 0.82 ALDH1A1 (0.65) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL10352206 0.82 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL960143 0.82 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232420-B2 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-31 — — US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 — — US disclosed
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-10-14 — — US disclosed
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-10-14 — — US disclosed
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — US disclosed
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 — — EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 — — US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 — — US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 — — US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 — — US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 — — EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 — — EP 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 (6 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-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 ALDH1A1 26/4885LMNA 1730/4885KMT2A 2600/4885
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME ADH1A, ADH1C, ADH5 ALDH1A1 80/4885LMNA 2545/4885KMT2A 3745/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 ALDH1A1 1019/4885LMNA 4778/4885KMT2A 4745/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 ALDH1A1 1316/4885LMNA 1760/4885KMT2A 923/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 ALDH1A1 2493/4885LMNA 1428/4885KMT2A 479/4885
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 ALDH1A1 26/4885LMNA 1730/4885KMT2A 2600/4885

“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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