SCHEMBL4410478

SCHEMBL4410478

CCCCCOc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OCCCCC

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.75
▸ TSHR P16473 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.64
▸ CA2 P00918 7/20 0.61
▸ CA1 P00915 6/20 0.61
▸ CA9 Q16790 4/20 0.61
▸ CA12 O43570 1/20 0.61
▸ CA7 P43166 3/20 0.61
▸ CA14 Q9ULX7 3/20 0.61
▸ USP2 O75604 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ SMPD1 P17405 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MAPT P10636 1/20 0.55

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
SCHEMBL4411479 0.87 CNR2 (0.81) CNR2TSHRSMPD1
SCHEMBL4407777 0.86 CNR2 (1.00) CNR2SMPD1
SCHEMBL4410346 0.85 CNR2 (0.81) CNR2SMPD1MAPT
SCHEMBL4410378 0.85 CNR2 (0.98) CNR2SMPD1
SCHEMBL4409426 0.85 CNR2 (0.98) CNR2SMPD1
SCHEMBL4410751 0.84 CNR2 (0.80) CNR2TSHRSMPD1
SCHEMBL4418690 0.84 CNR2 (0.96) CNR2SMPD1MAPT
SCHEMBL4417003 0.83 CNR2 (0.75) CNR2USP2SMPD1MAPT
SCHEMBL4406738 0.83 CNR2 (0.78) CNR2TSHRSMPD1
SCHEMBL4551660 0.83 CNR2 (0.94) CNR2SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 — — EP claimed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 — — EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 — — US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 — — EP disclosed
WO-2002047691-A9 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2003-11-20 — — WO disclosed
WO-2002047691-A1 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2002-06-20 — — WO disclosed
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 — — US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 — — EP 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CNR2 2/4885TSHR 773/4885NPSR1 19/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885TSHR 1644/4885NPSR1 13/4885

“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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