SCHEMBL4413652

SCHEMBL4413652

Cc1ccc(C)c(SCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.57
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
POLB P06746 4/20 0.51
KDM4E B2RXH2 3/20 0.51
TP53 P04637 2/20 0.49
APOBEC3A P31941 1/20 0.49
ESR2 Q92731 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
HKDC1 Q2TB90 1/20 0.47

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
SCHEMBL31709319 1.00 L3MBTL1 (0.57) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL14273069 0.85 LMNA (0.56) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4266819 0.82 GAA (0.55) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5423313 0.82 PKM (0.44) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL11091002 0.82 ALDH1A1 (0.54) L3MBTL1LMNAALDH1A1POLBKDM4E
SCHEMBL11864583 0.80 ALDH1A1 (0.56) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4276529 0.80 TSHR (0.54) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL14273080 0.80 MEN1 (0.44) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL11095959 0.80 KDM4E (0.50) L3MBTL1LMNAALDH1A1HPGDKDM4E
SCHEMBL14320105 0.78 TSHR (0.53) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP claimed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO 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-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS L3MBTL1 3392/4885LMNA 753/4885SMN1; SMN2 96/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS L3MBTL1 3392/4885LMNA 753/4885SMN1; SMN2 96/4885

“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.