SCHEMBL2115589

SCHEMBL2115589

Cc1ccc(S(=O)(=O)CC2CCC(=O)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 2/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 1/20 0.37
MMP1 P03956 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC12A2 P55011 1/20 0.36
SLC12A5 Q9H2X9 1/20 0.36
CTSK P43235 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
SCHEMBL5156793 1.00 CRBN (0.51) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2115582 1.00 CRBN (0.51) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1441969 0.79 CYP2D6 (0.48) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL506818 0.79 CYP2D6 (0.48) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL898024 0.79 CYP2D6 (0.48) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5156797 0.78 POLB (0.41) ALDH1A1CYP2C19CYP1A2GAAKMT2A
SCHEMBL5157358 0.78 POLB (0.41) ALDH1A1CYP2C19CYP1A2GAAKMT2A
SCHEMBL28956797 0.78 SLC12A2 (0.49) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10642877 0.77 MMP1 (0.55) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1566787 0.76 CRBN (0.45) CRBNALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-8158663-B2 N-[2-thiazolylidene- or 2-oxazolylidene]carbo- or heterocyclecarboxyamides, e.g., 5-chloro-2-methoxy-N-[(2Z)-3-(2-methoxyethyl)-5,5-dimethyl-1,3-thiazolidin-2-ylidene]benzamide; treating neuropathic, nociceptive, and inflammatory pain and immune, respiratory, and cardiovascular disorders ABBOTT LABORATORIES (US) 2012-04-17 US disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
WO-2008079687-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP disclosed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 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 (2 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CRBN 1971/4885ALDH1A1 898/4885CYP3A4 425/4885
US-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 CRBN 1240/4885ALDH1A1 1654/4885CYP3A4 1049/4885

“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.