SCHEMBL3066940

SCHEMBL3066940

O=S(=O)(O)c1ccccc1CCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TTR P02766 2/20 0.36
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
CYP2D6 P10635 1/20 0.33
MMP8 P22894 1/20 0.33
MMP16 P51512 1/20 0.33
FABP4 P15090 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK14 Q16539 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
NR4A1 P22736 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
SCHEMBL30446463 0.87 MYC (0.47) MYCTSHRSMN1; SMN2TTRMMP1
SCHEMBL4202392 0.87 MYC (0.47) MYCTSHRSMN1; SMN2TTRMMP1
SCHEMBL11378079 0.85 MGLL (0.41) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL587388 0.83 GAA (0.41) MMP1MMP2MMP3MMP9MMP12
SCHEMBL6252534 0.83 MYC (0.44) MYCTSHRSMN1; SMN2TTRMMP1
Hydrochloric Acid SCHEMBL28337695 0.82 MYC (0.43) MYCTSHRSMN1; SMN2TTRMMP1
SCHEMBL11341783 0.82 MGLL (0.47) MYCTSHRSMN1; SMN2TTRALDH1A1
SCHEMBL1807544 0.82 MYC (0.43) MYCTSHRSMN1; SMN2TTRMMP1
SCHEMBL1807545 0.82 MYC (0.43) MYCTSHRSMN1; SMN2TTRMMP1
SCHEMBL11254980 0.82 ALDH1A1 (0.38) TSHRMMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336895-B Synthesis method of pholcodine 宜昌人福药业有限责任公司 2020-05-26 CN disclosed
CN-109336895-A A kind of synthetic method of pholcodine 宜昌人福药业有限责任公司 2019-02-15 CN disclosed
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 US disclosed
US-20060264450-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2006-11-23 US disclosed
US-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
US-4778932-A Process for preparing diarylsulfones NEW JAPAN CHEMICAL CO., LTD. (JP) 1988-10-18 US disclosed
US-4518597-A THROMBOSIS, ARTERIOSCLEROSIS, ANTITUMOR, ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1985-05-21 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 (3 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-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 MYC 536/4885TSHR 1105/4885SMN1; SMN2 4271/4885
US-20060264450-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 MYC 536/4885TSHR 1105/4885SMN1; SMN2 4271/4885
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 MYC 536/4885TSHR 1105/4885SMN1; SMN2 4271/4885

“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.