SCHEMBL4174949

SCHEMBL4174949

COC(=O)c1cc(C(=O)OC)c(C)nc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
GAA P10253 1/20 0.57
KDM4E B2RXH2 3/20 0.56
ALOX15 P16050 1/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL28596962 0.92 SMN1; SMN2 (0.73) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL3507819 0.92 GAA (0.51) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL30531213 0.92 SMN1; SMN2 (0.73) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL16616416 0.88 GAA (0.51) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL16616207 0.86 SMN1; SMN2 (0.50) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL28381224 0.86 GAA (0.50) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL13754105 0.85 KDM4E (0.51) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL13523984 0.83 LMNA (0.50) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL3508267 0.83 GAA (0.48) SMN1; SMN2GAAKDM4EALOX15LMNA
SCHEMBL20302447 0.81 ACHE (0.49) SMN1; SMN2GAAKDM4EALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170905-A Synthetic method of sulfonamide compound 台州学院 2020-05-19 CN claimed
CN-113173884-B Method for synthesizing pyridine and derivative thereof by catalyzing hans ester 1, 4-dihydropyridine compound with titanocene dichloride 陕西师范大学 2023-08-15 CN disclosed
CN-111170905-B Synthetic method of sulfonamide compound 台州学院 2022-04-29 CN disclosed
CN-110105472-B Z-N catalyst, preparation method and application thereof 中国石油天然气股份有限公司 2021-08-31 CN disclosed
CN-113173884-A Method for synthesizing pyridine and derivatives thereof by catalyzing hans ester 1, 4-dihydropyridine compounds with titanocene dichloride 陕西师范大学 2021-07-27 CN disclosed
CN-107952483-B Catalyst, reactor using the same, and method for preparing β -phenethyl alcohol 万华化学集团股份有限公司 2020-07-28 CN disclosed
CN-111170905-A Synthetic method of sulfonamide compound 台州学院 2020-05-19 CN disclosed
CN-107952483-A A kind of catalyst, uses the reactor of the catalyst, and a kind of method for preparing bata-phenethyl alcohol 万华化学集团股份有限公司 2018-04-24 CN disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 US disclosed
US-4209440-A A PHENYLINDOLE AND A DIHYDROPYRIDINE DICARBOXYLATE LABAZ (FR) 1980-06-24 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 (2 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-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC SMN1; SMN2 4596/4885GAA 317/4885KDM4E 4022/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC SMN1; SMN2 4572/4885GAA 319/4885KDM4E 4051/4885

“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.