SCHEMBL4090427

SCHEMBL4090427

CC(=O)OCc1ccc(N2C(=O)c3ccccc3C2=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GRM1 Q13255 1/20 0.43
GRM5 P41594 4/20 0.40
NR1H3 Q13133 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.39
IDH1 O75874 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
ELANE P08246 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL30817656 0.76 NPC1 (0.44) ALDH1A1GRM1GRM5NR1H3PPARD
SCHEMBL4097446 0.76 NPC1 (0.44) ALDH1A1GRM1GRM5NR1H3PPARD
SCHEMBL2029240 0.71 RAB9A (0.56) ALDH1A1GRM1MAPTHPGDPOLB
SCHEMBL1922080 0.70 SMN1; SMN2 (0.56) ALDH1A1GRM1KMT2A
SCHEMBL11016027 0.70 ALDH1A1 (0.52) ALDH1A1MAPTIDH1POLBKMT2A
SCHEMBL11012453 0.70 POLB (0.53) ALDH1A1MAPTPOLBKMT2A
SCHEMBL8815935 0.70 HPGD (0.53) ALDH1A1IDH1HPGDPOLBKMT2A
SCHEMBL2134732 0.69 ALDH1A1 (0.57) ALDH1A1MAPTPOLBKMT2A
SCHEMBL30632368 0.69 MAPT (0.53) ALDH1A1GRM1PPARAMAPTPOLB
SCHEMBL13034165 0.69 ALDH1A1 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
WO-2005095391-A1 THIAZOLIUMS AS TRANSKETOLASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-10-13 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-20090209554-A1 Thiazoliums as transketolase inhibitors TKT, RRM2, TYMS ALDH1A1 766/4885GRM1 4539/4885GRM5 4212/4885

“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.