SCHEMBL2665987

SCHEMBL2665987

CCCS(=O)(=O)c1ccc(CC(=O)OCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP4Z1 Q86W10 1/20 0.47
GAA P10253 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
AKT1 P31749 1/20 0.44
IRS1 P35568 1/20 0.44
GAB1 Q13480 1/20 0.44
RORC P51449 1/20 0.43

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
SCHEMBL14744352 0.89 ALDH1A1 (0.48) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL2665972 0.89 KMT2A (0.57) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL2654388 0.84 KMT2A (0.56) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL2655288 0.83 KMT2A (0.59) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL2665963 0.82 LMNA (0.56) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL27513611 0.82 CYP1A2 (0.62) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL68851 0.81 CYP4Z1 (0.62) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL119585 0.81 LMNA (0.54) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL18275143 0.81 LMNA (0.49) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL18275289 0.81 MMP9 (0.49) KMT2AALDH1A1LMNAKDM4ETSHR

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
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
WO-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 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 (1 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-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 KMT2A 3964/4885ALDH1A1 1846/4885LMNA 4250/4885

“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.