SCHEMBL963564

SCHEMBL963564

O=S(=O)(O)c1ccc(CCC2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ADAMTS4 O75173 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DAO P14920 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MAOB P27338 2/20 0.38
TGM2 P21980 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 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
SCHEMBL5115517 0.91 KCNH2 (0.43) KCNH2LMNAGAAALDH1A1NPSR1
SCHEMBL2484521 0.91 KCNH2 (0.40) KCNH2LMNAGAAADAMTS4MMP2
SCHEMBL7735405 0.85 DAO (0.41) LMNAALDH1A1DAOMAOBTSHR
SCHEMBL20573232 0.85 MAOB (0.40) LMNAALDH1A1DAOMAOBTSHR
SCHEMBL17797595 0.84 LMNA (0.38) KCNH2LMNAGAAALDH1A1HRH3
SCHEMBL22123904 0.84 LMNA (0.47) KCNH2LMNAGAANPSR1CA1
SCHEMBL12453115 0.84 DAO (0.43) LMNAMMP2ALDH1A1NPSR1DAO
SCHEMBL23387596 0.84 L3MBTL1 (0.47) LMNAGAAALDH1A1NPSR1CA1
SCHEMBL23387581 0.82 GPR84 (0.37) ALDH1A1NPSR1MAOB
SCHEMBL8945004 0.81 MAOB (0.43) LMNAALDH1A1HRH3MAOBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072969-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS Piramal Enterprises Limited (IN) 2015-03-12 US disclosed
EP-2820005-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS Piramal Enterprises Limited (IN) 2015-01-07 EP disclosed
WO-2013128378-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS Piramal Enterprises Limited (IN) 2013-09-06 WO 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 (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-20150072969-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS GPR55, GPR65, GPR35 KCNH2 2515/4885LMNA 3309/4885GAA 1749/4885
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 KCNH2 644/4885LMNA 1664/4885GAA 2510/4885

“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.