SCHEMBL962354

SCHEMBL962354

O=S(=O)(O)c1ccc(CCC2CCC(F)(F)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
MAOB P27338 6/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
LMNA P02545 1/20 0.34
NAMPT P43490 1/20 0.34
MAOA P21397 1/20 0.33
NMT1 P30419 1/20 0.33

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
SCHEMBL16797629 0.85 LMNA (0.36) MAOBLMNA
SCHEMBL7735405 0.83 DAO (0.41) MAOBGPR84LMNA
SCHEMBL20573232 0.83 MAOB (0.40) MAOBGPR84LMNAMAOA
SCHEMBL12453115 0.81 DAO (0.43) MAOBMMP2LMNA
SCHEMBL963564 0.79 KCNH2 (0.44) MAOBADAMTS4MMP2MMP9MMP13
SCHEMBL8945004 0.79 MAOB (0.43) MAOBHTR2AHTR2CGPR84LMNA
SCHEMBL23387581 0.77 GPR84 (0.37) MAOBGPR84MAOANMT1
SCHEMBL21192386 0.75 LMNA (0.38) MAOBLMNA
SCHEMBL17797595 0.75 LMNA (0.38) LMNA
SCHEMBL9239765 0.74 NMT1 (0.45) MAOBMAOANMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RORC 1426/4885MAOB 2604/4885HTR2A 203/4885

“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.