SCHEMBL12626093

SCHEMBL12626093

COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(CO)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46

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
SCHEMBL12655726 0.93 L3MBTL1 (0.60) L3MBTL1POLBSMN1; SMN2LMNAMAPT
SCHEMBL12621885 0.92 HCRTR1 (0.53) L3MBTL1SMN1; SMN2LMNAMAPTHTT
SCHEMBL15425990 0.87 L3MBTL1 (0.67) L3MBTL1POLBSMN1; SMN2LMNAHTT
SCHEMBL25495296 0.86 L3MBTL1 (0.54) L3MBTL1POLBSMN1; SMN2LMNAMAPT
SCHEMBL12626097 0.84 KDM4E (0.61) POLBSMN1; SMN2HTTUSP2HPGD
SCHEMBL12621896 0.82 HCRTR1 (0.56) L3MBTL1SMN1; SMN2LMNAMAPTCA12
SCHEMBL21202626 0.82 HCRTR1 (0.49) L3MBTL1SMN1; SMN2LMNAMAPTHTT
SCHEMBL25493754 0.82 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2HTTUSP2HCRTR1
SCHEMBL12656050 0.80 HCRTR1 (0.58) L3MBTL1MAPTCA12CA1CA2
SCHEMBL12622095 0.80 L3MBTL1 (0.68) L3MBTL1POLBSMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — 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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3970/4885POLB 2825/4885SMN1; SMN2 3022/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3970/4885POLB 2825/4885SMN1; SMN2 3022/4885

“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.

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