SCHEMBL2652587

SCHEMBL2652587

COC(=O)C(CC1CCCC1)c1ccc(C#CCN2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP13 P45452 3/20 0.43
MMP3 P08254 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CSF1R P07333 1/20 0.39
LMNA P02545 1/20 0.39
MMP8 P22894 1/20 0.38
MAPK14 Q16539 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP1 P03956 1/20 0.36
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2652113 0.88 MEN1 (0.44) MMP2MMP13MMP3MEN1KMT2A
SCHEMBL2651907 0.82 MMP2 (0.39) MMP2
SCHEMBL2650114 0.82 CYP2D6 (0.42) MMP2
SCHEMBL2648595 0.82 CTSS (0.47) LMNAALDH1A1CTSSSMN1; SMN2
SCHEMBL2653693 0.80 ALDH1A1 (0.40) MMP2ALDH1A1CTSS
SCHEMBL2650869 0.80 ACACB (0.38) MMP2
SCHEMBL2651572 0.79 GCK (0.38) MMP2
SCHEMBL2651336 0.78 GCK (0.59)
SCHEMBL2647677 0.77 TSHR (0.46) KMT2A
SCHEMBL2651185 0.75 ACACB (0.43) MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282612-B1 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
EP-1282612-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-6388071-B2 ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
US-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. 2001-12-20 US disclosed
WO-2001083465-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20010053851-A1 Alkynyl phenyl heteroaromatic glucokinase activators GCK, GCKR, HK2 MMP2 947/4885MMP13 1580/4885MMP3 1872/4885

“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.