SCHEMBL8259133

SCHEMBL8259133

Cc1c(C)c(C)c2c(c1C)CCC(C)(C)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 4/20 0.41
HPGD P15428 3/20 0.41
CCR5 P51681 1/20 0.37
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
GSTP1 P09211 1/20 0.35
TTPA P49638 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PSEN1 P49768 4/20 0.35
NR1I2 O75469 2/20 0.35
PDE4D Q08499 1/20 0.34

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
Apc-100 SCHEMBL633424 0.84 CYP3A4 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13592377 0.84 PTGS1 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23692505 0.84 PTGS1 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL12434165 0.83 PTGS1 (0.40) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6522953 0.81 PTGS1 (0.39) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL10238653 0.81 CYP1A2 (0.39) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL14313912 0.80 PTGS1 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL12512655 0.80 PTGS1 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7875364 0.80 HPGD (0.38) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7863378 0.80 PTGS1 (0.35) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018142131-A1 OIL TAGGING Forecast Technology Limited (GB) 2018-08-09 WO disclosed
US-20160075651-A1 GLYCOLIPID INHIBITION USING IMINOSUGARS UNITHER VIROLOGY, LLC (US) 2016-03-17 US disclosed
US-8921568-B2 Iminosugars and their applications UNITHER VIROLOGY, LLC (US) 2014-12-30 US disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
EP-2279757-A2 Compounds for targeting endothelial cells Bracco Suisse SA (CH) 2011-02-02 EP disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
EP-2228364-A1 Acylsulfonamides as inhibitors of steroid sulfatase Novartis AG (CH) 2010-09-15 EP disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 US disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 WO disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 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 (7 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 PTGS1 3054/4885PTGS2 3680/4885CYP1A2 707/4885
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R PTGS1 750/4885PTGS2 1137/4885CYP1A2 3099/4885
US-20110071146-A1 17BetaHSD Type 5 Inhibitor CYP17A1, HSD17B3, HSD3B1 PTGS1 730/4885PTGS2 1449/4885CYP1A2 389/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 PTGS1 207/4885PTGS2 361/4885CYP1A2 299/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R PTGS1 750/4885PTGS2 1137/4885CYP1A2 3099/4885
US-20160075651-A1 GLYCOLIPID INHIBITION USING IMINOSUGARS UGCG, UGGT1, DGAT1 PTGS1 2201/4885PTGS2 2233/4885CYP1A2 3264/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R PTGS1 657/4885PTGS2 1040/4885CYP1A2 3453/4885

“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.