Sugi Predict

Sugi Predict / Compounds / SCHEMBL1144715

SCHEMBL1144715

SCHEMBL1144715

Cc1ccc(S(=O)(=O)OC[C@H]2OC(C)(C)O[C@@H]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ STAT3 P40763 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL19713666 1.00 CYP3A4 (0.39) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL10338630 0.91 CYP3A4 (0.41) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL2343860 0.91 CYP3A4 (0.41) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL72728 0.91 CYP3A4 (0.41) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL13872437 0.91 CYP3A4 (0.41) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL7767515 0.87 HPGD (0.43) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL17215239 0.86 CA12 (0.38) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL16488733 0.86 CYP3A4 (0.39) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL13707926 0.86 CYP3A4 (0.39) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9
SCHEMBL12517672 0.86 CYP3A4 (0.42) CYP3A4CYP2D6ALDH1A1TSHRCYP2C9

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
EP-2142554-B1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 — — EP disclosed
US-7973159-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-05 — — US disclosed
US-7973159-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-05 — — US disclosed
US-7973159-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-05 — — US disclosed
US-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
US-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
US-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
US-7851622-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-14 — — US disclosed
US-7851622-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-14 — — US disclosed
US-7851622-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-14 — — US disclosed
WO-2008134480-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-06 — — WO disclosed
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety BRISTOL-MYERS SQUIBB COMPANY 2008-10-30 — — US disclosed
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety BRISTOL-MYERS SQUIBB COMPANY 2008-10-30 — — US disclosed
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety BRISTOL-MYERS SQUIBB COMPANY 2008-10-30 — — 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-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R CYP3A4 1376/4885CYP2D6 787/4885ALDH1A1 620/4885
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety MCHR1, MCHR2, MC3R CYP3A4 623/4885CYP2D6 222/4885ALDH1A1 280/4885

“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.