SCHEMBL2851422

SCHEMBL2851422

COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.62
CASP1 P29466 6/20 0.62
CASP7 P55210 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 13/20 0.60
ALDH1A1 P00352 8/20 0.59
HPGD P15428 5/20 0.59
GAA P10253 2/20 0.59
BAP1 Q92560 1/20 0.57
TSHR P16473 1/20 0.55
NR1I2 O75469 1/20 0.54
FFAR3 O14843 2/20 0.54
ALOX15 P16050 2/20 0.54
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL2851420 1.00 HSD17B10 (0.62) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL3324052 0.88 ALDH1A1 (0.72) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL3323368 0.85 ALDH1A1 (0.66) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL2845686 0.84 HSD17B10 (0.67) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL2845689 0.84 HSD17B10 (0.67) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL2846711 0.83 KDM4E (0.64) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL2848300 0.83 SMN1; SMN2 (0.61) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL2846713 0.83 KDM4E (0.64) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL2848302 0.83 SMN1; SMN2 (0.61) HSD17B10CASP1CASP7SMN1; SMN2KDM4E
SCHEMBL3329695 0.83 ALDH1A1 (0.79) HSD17B10CASP1CASP7SMN1; SMN2KDM4E

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-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US claimed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 WO claimed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US disclosed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 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-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 HSD17B10 1951/4885CASP1 1152/4885CASP7 1054/4885

“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.