SCHEMBL965090

SCHEMBL965090

Cc1ccc(S(=O)(=O)O)c(C[C@H]2CCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC12A2 P55011 1/20 0.43
SLC12A5 Q9H2X9 1/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
RCE1 Q9Y256 1/20 0.40
ALOX12 P18054 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2484468 1.00 KDM4E (0.46) KDM4EMAPK1SLC12A2SLC12A5HPGD
SCHEMBL27206070 0.93 KDM4E (0.39) KDM4EMAPK1SLC12A2SLC12A5HPGD
SCHEMBL537494 0.85 KMT2A (0.38) KDM4EMAPK1HPGDTSHRGAA
SCHEMBL909752 0.85 KMT2A (0.38) KDM4EMAPK1HPGDTSHRGAA
SCHEMBL909187 0.85 KMT2A (0.38) KDM4EMAPK1HPGDTSHRGAA
SCHEMBL32681961 0.83 SLC6A2 (0.37) KDM4EMAPK1TSHRGAAPOLB
SCHEMBL20184269 0.83 ALDH1A1 (0.44) KDM4EMAPK1MAPTGAAALDH1A1
SCHEMBL5153705 0.80 ALDH1A1 (0.33) KDM4EMAPK1HPGDTSHRGAA
SCHEMBL23151908 0.80 DRD4 (0.34) KDM4EMAPK1PKMRAB9AHTT
SCHEMBL20573229 0.79 EPHX2 (0.38) PKMRAB9ATSHRHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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 (1 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-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 KDM4E 3198/4885MAPK1 1318/4885SLC12A2 1824/4885

“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.