SCHEMBL2651256

SCHEMBL2651256

C#Cc1ccccc1C(CC1CCCC1)C(=O)OC.c1cc2cc-2n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 1/20 0.33
▸ WNK1 Q9H4A3 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ F11 P03951 2/20 0.33
▸ CTSL P07711 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CIT O14578 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PRCP P42785 1/20 0.32
▸ GCK P35557 1/20 0.32

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
SCHEMBL2652809 0.88 F11 (0.34) ANO1F11CTSLCTSSCIT
Pyrimidine SCHEMBL2651190 0.85 C3AR1 (0.35) CTSLCTSSCTSBCTSK
SCHEMBL2651391 0.81 GCK (0.50) GCK
Pyrimidine SCHEMBL2651506 0.72 C3AR1 (0.37) CTSLCTSSCTSBCTSK
SCHEMBL1418963 0.68 SLC6A3 (0.50) ALDH1A1
Pyrimidine SCHEMBL2650905 0.67 GCK (0.53) GCK
SCHEMBL2647735 0.67 ROCK2 (0.42) GCK
SCHEMBL21189241 0.66 ALDH1A1 (0.51) SMN1; SMN2CTSKALDH1A1
SCHEMBL2648711 0.66 MME (0.46) CTSSALDH1A1
SCHEMBL3998594 0.65 KMT2A (0.49) ALDH1A1

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 ANO1 3181/4885WNK1 332/4885ACACB 183/4885

“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.

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