Sugi Predict

Sugi Predict / Compounds / SCHEMBL691993

SCHEMBL691993

SCHEMBL691993

COc1ccccc1-c1nc(Nc2ccc(C)cc2)s[n+]1-c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.46
▸ HPGDS O60760 1/20 0.43
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40
▸ TUBB2B Q9BVA1 1/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.40
▸ FSCN1 Q16658 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ PHOSPHO1 Q8TCT1 2/20 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
SCHEMBL691978 0.92 FSCN1 (0.48) VCPHPGDSFSCN1PTGS2PHOSPHO1
Bromide SCHEMBL4800288 0.91 PHOSPHO1 (0.49) VCPHPGDSFSCN1PTGS2PHOSPHO1
SCHEMBL692310 0.88 FSCN1 (0.54) VCPHPGDSFSCN1PTGS2PHOSPHO1
SCHEMBL691886 0.84 MAPT (0.47) VCPUSP2MAPTALDH1A1LMNA
SCHEMBL691991 0.79 FSCN1 (0.54) FSCN1PTGS2PHOSPHO1MAPTALDH1A1
SCHEMBL693068 0.72 FSCN1 (0.45) FSCN1PHOSPHO1MAPTALDH1A1LMNA
SCHEMBL13865694 0.70 FSCN1 (0.64) FSCN1PTGS2PHOSPHO1MAPTALDH1A1
SCHEMBL6264546 0.68 AGPAT2 (0.50) VCPHPGDSTUBB4ATUBBTUBA3C
SCHEMBL12297184 0.64 VCP (0.79) VCPHPGDSPTGS2CYP1A2TSHR
SCHEMBL12298274 0.64 VCP (0.77) VCPHPGDSTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501791-B2 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARAMACEUTICAL, INC. (US) 2013-08-06 — — US claimed
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS EISINGER MAGDALENA 2010-11-04 — — US claimed
US-20090203751-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators EISINGER MAGDALENA EISINGER 2009-08-13 — — US claimed
US-7319107-B2 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2008-01-15 — — US claimed
EP-1444215-B1 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-07-19 — — EP claimed
US-20060030604-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ELSINGER MAGDALENA 2006-02-09 — — US claimed
US-20030162819-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-08-28 — — US claimed
EP-2933265-A2 Pharmacological chaperones for treating obesity Amicus Therapeutics, Inc. (US) 2015-10-21 — — EP disclosed
US-20130210868-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JANSSEN PHARMACEUTICAL, INC. (US) 2013-08-15 — — US disclosed
US-20130203823-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JANSSEN PHARMACEUTICAL, INC. (US) 2013-08-08 — — US disclosed
EP-2421521-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. (US) 2012-02-29 — — EP disclosed
US-20100273838-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. 2010-10-28 — — US disclosed
WO-2010124175-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2010-10-28 — — WO disclosed
US-20070021433-A1 Pharmacological chaperones for treating obesity UNIVERSITE DE MONTREAL (CA) 2007-01-25 — — 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 (7 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-20030162819-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R VCP 3429/4885HPGDS 2002/4885TUBB4A 2323/4885
US-20060030604-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R VCP 3429/4885HPGDS 2002/4885TUBB4A 2323/4885
US-20130203823-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R VCP 4323/4885HPGDS 1993/4885TUBB4A 1677/4885
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS MC1R, MC5R, MC3R VCP 3511/4885HPGDS 1529/4885TUBB4A 1977/4885
US-20130210868-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R VCP 4323/4885HPGDS 1993/4885TUBB4A 1677/4885
US-20100273838-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R VCP 4323/4885HPGDS 1993/4885TUBB4A 1677/4885
US-20090203751-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R VCP 3429/4885HPGDS 2002/4885TUBB4A 2323/4885

“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.