Sugi Predict

Sugi Predict / Compounds / SCHEMBL227608

SCHEMBL227608

SCHEMBL227608

COc1ccc2c(c1)CCC(OS(=O)(=O)C(F)(F)F)=C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ PTGS2 P35354 2/20 0.44
▸ CYP19A1 P11511 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ BCL2 P10415 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ CYP24A1 Q07973 1/20 0.36
▸ CYP26A1 O43174 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL22569053 0.92 CYP11B1 (0.41) CYP11B1CYP11B2PTGS2CYP19A1MAOA
SCHEMBL225981 0.92 CYP11B1 (0.41) CYP11B1CYP11B2PTGS2CYP19A1MAOA
SCHEMBL225035 0.91 CYP11B2 (0.41) CYP11B1CYP11B2PTGS2MAOBBCL2
SCHEMBL6360846 0.82 KDM4E (0.37) PTGS2MAOAKDM4EGLA
SCHEMBL19230505 0.82 SRD5A1 (0.33) DRD2HTR1DDRD3
SCHEMBL354057 0.81 NOTUM (0.39) DRD2DRD3GAAKDM4E
SCHEMBL3652333 0.79 CYP11B1 (0.38) CYP11B1CYP11B2PTGS2CYP19A1MAOA
SCHEMBL15319208 0.79 AKR1C3 (0.42) CYP11B1CYP11B2PTGS2DRD2DRD3
SCHEMBL225622 0.79 GPR84 (0.35) CYP11B1CYP11B2PTGS2CYP19A1DRD2
SCHEMBL30152331 0.79 GPR84 (0.35) CYP11B1CYP11B2PTGS2CYP19A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020212543-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-22 — — WO disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 — — EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 — — EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 — — US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 — — US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 — — US disclosed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 — — EP disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 — — US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 — — US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 — — US disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 — — US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 — — US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 — — US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 — — US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 — — US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 — — US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 — — EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 — — WO disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 — — US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 — — 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 (4 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 CYP11B1 195/4885CYP11B2 363/4885PTGS2 2136/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC CYP11B1 1495/4885CYP11B2 1155/4885PTGS2 110/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 CYP11B1 958/4885CYP11B2 1251/4885PTGS2 3624/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP11B1 214/4885CYP11B2 378/4885PTGS2 2249/4885

“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.