SCHEMBL724289

SCHEMBL724289

O=C(Cl)COc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
RAB9A P51151 4/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DAO P14920 1/20 0.36
CYP2C9 P11712 2/20 0.36
ELANE P08246 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL341114 0.82 ALOX15 (0.50) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL707494 0.82 KDM4E (0.44) GSK3BRAB9APOLBNPC1ALDH1A1
SCHEMBL11008232 0.81 KMT2A (0.39) RAB9APOLBNPC1ALDH1A1LMNA
Potassium Ion SCHEMBL11800653 0.79 HPGD (0.37) GSK3BRAB9APOLBNPC1ALDH1A1
SCHEMBL891160 0.79 MMP1 (0.44) GSK3BRAB9APOLBNPC1ALDH1A1
SCHEMBL8814468 0.78 KMT2A (0.51) RAB9ANPC1ALDH1A1LMNAKMT2A
SCHEMBL9539309 0.77 ALDH1A1 (0.42) GSK3BRAB9APOLBNPC1ALDH1A1
SCHEMBL5759533 0.75 L3MBTL1 (0.39) RAB9APOLBNPC1ALDH1A1LMNA
SCHEMBL4391726 0.75 GAA (0.46) POLBALDH1A1KMT2AHPGDGAA
SCHEMBL11501160 0.74 HPGD (0.34) GSK3BRAB9APOLBNPC1ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032646-A1 Novel taxanes and methods related to use and preparation thereof INNOVATIONAL HOLDINGS LLC 2007-02-08 US claimed
EP-1562927-A2 THIO-ANALOGUES OF PACLITAXEL AND INTERMEDIATES THEREOF Phytogen Life Sciences Inc. (CA) 2005-08-17 EP claimed
US-20040132991-A1 Novel taxanes and methods related to use and preparation thereof PHYTOGEN LIFE SCIENCES INC. (CA) 2004-07-08 US claimed
WO-2004033442-A2 NOVEL TAXANES AND METHODS RELATED TO USE AND PREPARATION THEREOF CHATHAM BIOTEC LTD. (CA) 2004-04-22 WO claimed
EP-2432321-B1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-06-14 EP disclosed
US-8410095-B2 Thiazolopyrimidinone derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
EP-2432321-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2012-03-28 EP disclosed
US-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2012-03-01 US disclosed
WO-2010135504-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-11-25 WO disclosed
WO-2004032871-A2 PIPERAZINE AND PIPERAZINONE INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed
EP-0720605-B1 AMINOCYCLOHEXYLESTERS AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2001-12-19 EP disclosed
US-6323212-B1 METHOD FOR REDUCING PAIN, WHICH COMPRISES ADMINISTERING AN EFFECTIVE ANALGESIC AMOUNT OF THE MORPHINAN DERIVATIVE TORAY INDUSTRIES, INC. (JP) 2001-11-27 US disclosed
EP-0577847-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1994-01-12 EP disclosed
US-4343937-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-08-10 US disclosed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US disclosed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US disclosed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US disclosed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US disclosed
US-4324890-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-04-13 US disclosed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 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 (3 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-20070032646-A1 Novel taxanes and methods related to use and preparation thereof TUBB8B, TUBA1B, TUBB GSK3B 3409/4885RAB9A 634/4885POLB 117/4885
US-20040132991-A1 Novel taxanes and methods related to use and preparation thereof TUBB8B, TUBA1B, TUBB GSK3B 3409/4885RAB9A 634/4885POLB 117/4885
US-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CA, PI4KA GSK3B 33/4885RAB9A 942/4885POLB 1926/4885

“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.