Sugi Predict

Sugi Predict / Compounds / SCHEMBL613237

SCHEMBL613237

SCHEMBL613237

COC(=O)c1ccc(C2=CCC(=O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA12 O43570 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA14 Q9ULX7 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ SETD7 Q8WTS6 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ PTPRF P10586 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ CDC25B P30305 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
SCHEMBL9295486 0.81 CA1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL27359297 0.79 PTPRC (0.41) CA1CA2CA12CA9CA14
SCHEMBL31198399 0.78 CA2 (0.41) CA1CA2CA12CA9CA14
SCHEMBL26090324 0.77 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL2944680 0.75 ALDH1A1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL2949298 0.74 ALDH1A1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL2949295 0.74 ALDH1A1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL2950950 0.74 ALDH1A1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL19387238 0.74 CA1 (0.70) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.74 CA1 (0.70) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 — — EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 — — EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 — — US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 — — US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 — — EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 — — US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 — — US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 — — US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 — — US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 — — US disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 — — US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 — — US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 — — US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 — — EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 — — US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 — — US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 — — EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 — — US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 — — US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 — — 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 (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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CA1 1805/4885CA2 3763/4885CA12 4403/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CA1 2570/4885CA2 4154/4885CA12 4699/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CA1 1805/4885CA2 3763/4885CA12 4403/4885
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CA1 3921/4885CA2 2233/4885CA12 4452/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CA1 3175/4885CA2 4102/4885CA12 4668/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CA1 3921/4885CA2 2233/4885CA12 4452/4885

“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.