SCHEMBL2651230

SCHEMBL2651230

C#Cc1ccc(C(CC2CCCC2)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
GCK P35557 2/20 0.36
APP P05067 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CPB2 Q96IY4 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
FFAR1 O14842 1/20 0.34
LTA4H P09960 1/20 0.34
METAP2 P50579 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
SCHEMBL2645029 0.85 TSHR (0.41) MMP2MMP9MMP12L3MBTL1FFAR1
SCHEMBL2650870 0.85 MMP2 (0.44) MMP2MMP9MMP12GCKAPP
SCHEMBL1418773 0.81 CYP2C19 (0.47) MMP2MMP9MMP12POLBMETAP2
SCHEMBL1418768 0.81 CYP2C19 (0.47) MMP2MMP9MMP12POLBMETAP2
SCHEMBL2650598 0.80 DPEP1 (0.43) GCKAPPPSEN1PSEN2APH1B
SCHEMBL2649555 0.80 DPEP1 (0.43) MMP2MMP9MMP12GCKAPP
SCHEMBL2646465 0.80 POLB (0.50) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2646620 0.80 KMT2A (0.49) GCKPOLB
SCHEMBL10380389 0.80 DPEP1 (0.43) GCKAPPPSEN1PSEN2APH1B
SCHEMBL2648456 0.79 MME (0.50) MMP2MMP9MMP12APPPSEN1

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 7 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
CN-1176915-C Alkynyl phenyl heteroaromatic glucokinase activators - 2004-11-24 CN disclosed
CN-1432004-A Alkynyl phenyl heteroaromatic glucokinase activators HOFFMANN LA ROCHE (CH) 2003-07-23 CN 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 947/4885MMP9 2931/4885MMP12 3268/4885

“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.