SCHEMBL2664133

SCHEMBL2664133

CO[C@H](C)COC(=O)c1ccn(C)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
JMJD6 Q6NYC1 7/20 0.49
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRL1 P41146 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
SCHEMBL2668105 0.84 RAB9A (0.51) TSHRRAB9ANPC1JMJD6ALDH1A1
SCHEMBL10817921 0.77 TSHR (0.60) TSHRRAB9ANPC1JMJD6ALDH1A1
SCHEMBL7515477 0.75 JMJD6 (0.53) TSHRRAB9ANPC1JMJD6ALDH1A1
SCHEMBL10154470 0.74 JMJD6 (0.56) TSHRRAB9ANPC1JMJD6ALDH1A1
SCHEMBL28894543 0.73 MAPT (0.54) TSHRALDH1A1
SCHEMBL5768786 0.72 MEN1 (0.51) TSHRRAB9ANPC1JMJD6ALDH1A1
SCHEMBL22005555 0.71 TSHR (0.65) TSHRRAB9ANPC1JMJD6ALDH1A1
SCHEMBL8011676 0.70 SMN1; SMN2 (0.45) TSHRRAB9ANPC1JMJD6ALDH1A1
SCHEMBL2629432 0.70 TSHR (0.51) TSHRRAB9ANPC1JMJD6ALDH1A1
SCHEMBL12448172 0.69 RAB9A (0.50) TSHRRAB9ANPC1ALDH1A1KMT2A

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-8273777-B2 Glucokinase activators and methods of using same BRISTOL-MEYER SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-20100324071-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-12-23 US disclosed
US-7812048-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20090030046-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2009-01-29 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 (2 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-20100324071-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 TSHR 1000/4885RAB9A 1180/4885NPC1 3627/4885
US-20090030046-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 TSHR 1000/4885RAB9A 1180/4885NPC1 3627/4885

“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.