Sugi Predict

Sugi Predict / Compounds / SCHEMBL1140554

SCHEMBL1140554

SCHEMBL1140554

CC(=O)c1cc(OC(C)C)cc(OC2CCN(S(C)(=O)=O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ F7 P08709 1/20 0.43
▸ F3 P13726 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40

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
SCHEMBL1107306 0.89 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9AHTT
SCHEMBL9986894 0.80 KDM4E (0.47) KDM4ENPC1RAB9AHTTPOLB
SCHEMBL9891684 0.78 GPR119 (0.51) ALDH1A1NPC1RAB9AHTTHRH3
SCHEMBL9987668 0.78 RORC (0.46) KDM4ECYP2D6HRH3MEN1KMT2A
SCHEMBL1107566 0.76 ALDH1A1 (0.45) ALDH1A1HTTPRSS1GAAMEN1
SCHEMBL12594149 0.74 USP30 (0.47) ALDH1A1GPR119
SCHEMBL10329780 0.74 ALDH1A1 (0.55) ALDH1A1RAB9AHTTPOLBPRSS1
SCHEMBL4798885 0.69 PARP10 (0.61) KDM4EALDH1A1RAB9ACYP2D6HRH3
SCHEMBL17537495 0.69 ALDH1A1 (0.49) KDM4EALDH1A1HTTPOLBGAA
SCHEMBL1107610 0.69 GPR119 (0.51) HRH3MEN1KMT2AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 — — US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 — — US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 — — US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — US 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 (3 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK KDM4E 2426/4885ALDH1A1 4045/4885NPC1 3660/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KDM4E 2316/4885ALDH1A1 4620/4885NPC1 3229/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KDM4E 2019/4885ALDH1A1 4539/4885NPC1 3184/4885

“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.