SCHEMBL2804280

SCHEMBL2804280

CC(C)(C)OC(=O)[C@H]1CCCN1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
CASP3 P42574 1/20 0.39
DPP4 P27487 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 1/20 0.36
ROCK2 O75116 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PREP P48147 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
SCHEMBL27160251 1.00 HSD17B10 (0.40) HSD17B10CASP3DPP4HRH3HPGD
SCHEMBL31016714 0.79 HSD17B10 (0.42) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL12084380 0.79 HSD17B10 (0.42) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL14938657 0.79 CASP3 (0.43) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL7362291 0.79 HSD17B10 (0.42) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL2677782 0.79 HSD17B10 (0.42) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL8490471 0.79 HSD17B10 (0.42) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL23999544 0.77 HSD17B10 (0.41) HSD17B10CASP3DPP4HRH3HPGD
SCHEMBL10211022 0.77 HSD17B10 (0.41) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL3898404 0.77 HSD17B10 (0.41) HSD17B10CASP3DPP4HRH3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
WO-2010107809-A2 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 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-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS DPP4, DPP3, DPP7 HSD17B10 853/4885CASP3 860/4885DPP4 1/4885

“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.