SCHEMBL794166

SCHEMBL794166

CC1(C)OC(=O)C(C(=O)CCNC(=O)O)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PTPN1 P18031 3/20 0.30
ACP1 P24666 2/20 0.30
CDC25B P30305 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3224832 0.81 TDP1 (0.41) BACE1KDM4EALDH1A1MAPTGLA
SCHEMBL29663487 0.80 BACE1 (0.40) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL20826897 0.78 KDM4E (0.50) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL7995598 0.78 HSD17B10 (0.52) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL9533484 0.75 TSHR (0.43) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL31603 0.75 BACE1 (0.44) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL28927137 0.75 LMNA (0.54) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL28697084 0.75 BACE1 (0.49) BACE1GLANPSR1
SCHEMBL23458430 0.74 BACE1 (0.39) BACE1KDM4EALDH1A1POLBMAPT
SCHEMBL22975210 0.74 GLA (0.35) BACE1GLANPSR1PTPN1ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945623-B1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2018-09-05 EP disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 US disclosed
EP-2945623-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou yunxuan yiyaokeji youxiangongsi (Su Zhou Yuan Pharm) (CN) 2015-11-25 EP disclosed
WO-2014113191-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF ZHANG XIAOHU (CN) 2014-07-24 WO disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
EP-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
US-20110253549-A1 WASHING APPARATUS AND METHOD OF DEODORIZING WASHING WATER KANNO MINORU 2011-10-20 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 (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-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO BACE1 219/4885KDM4E 2794/4885ALDH1A1 596/4885

“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.