SCHEMBL12669754

SCHEMBL12669754

CC(C)(C)NC(=O)OC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
DPP4 P27487 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
NTMT1 Q9BV86 1/20 0.34
NAAA Q02083 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7812041 0.96 EPHX1 (0.53) EPHX1DPP4ALDH1A1ALOX15TSHR
SCHEMBL8495444 0.94 EPHX1 (0.56) EPHX1DPP4ALDH1A1ALOX15TSHR
SCHEMBL7815595 0.91 EPHX1 (0.42) EPHX1DPP4SMN1; SMN2LMNA
SCHEMBL23437012 0.91 EPHX1 (0.42) EPHX1DPP4ALDH1A1ALOX15TSHR
SCHEMBL25270786 0.88 EPHX1 (0.40) EPHX1DPP4ALDH1A1ALOX15TSHR
SCHEMBL16689636 0.86 EPHX1 (0.41) EPHX1DPP4SMN1; SMN2NPC1RAB9A
SCHEMBL20398852 0.86 DPP4 (0.38) EPHX1DPP4L3MBTL1
SCHEMBL16505644 0.84 EPHX1 (0.40) EPHX1DPP4SMN1; SMN2L3MBTL1
SCHEMBL25276302 0.84 EPHX1 (0.38) EPHX1DPP4SMN1; SMN2
SCHEMBL25270841 0.83 EPHX1 (0.39) EPHX1DPP4ALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114641466-A Sulfonylurea derivatives and use thereof 诺瑟拉有限公司 2022-06-17 CN disclosed
CN-104136411-A therapeutically active compounds and methods of use thereof AGIOS PHARMACEUTICALS INC 2014-11-05 CN disclosed
CN-104024258-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2014-09-03 CN disclosed
CN-103814030-A Pyrrolopyrimidine and purine derivatives PFIZER 2014-05-21 CN disclosed
CN-103153978-A Compounds and methods for the treatment or prevention of flaviviridae viral infections VERTEX PHARMA 2013-06-12 CN disclosed
CN-102971286-A New cathepsin S protease inhibitors for the treatment of e.g. autoimmune disorders, allergy and chronic pain conditions MEDIVIR UK LTD 2013-03-13 CN disclosed
CN-102858751-A Cysteine protease inhibitors MEDIVIR UK LTD 2013-01-02 CN disclosed
CN-102834383-A Cysteine protease inhibitors MEDIVIR UK LTD 2012-12-19 CN disclosed
CN-102791708-A Inhibitors of akt activity ALMAC DISCOVERY LTD 2012-11-21 CN disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN EPHX1 655/4885DPP4 6/4885ALDH1A1 1352/4885

“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.