SCHEMBL424243

SCHEMBL424243

CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
HIF1A Q16665 5/20 0.47
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
AAK1 Q2M2I8 2/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
UCHL1 P09936 1/20 0.36

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
SCHEMBL14870998 0.90 HIF1A (0.46) TDP1HIF1ADGAT1ALDH1A1HTT
SCHEMBL22558298 0.90 HIF1A (0.46) TDP1HIF1ADGAT1AAK1LPL
SCHEMBL22408213 0.90 HIF1A (0.45) TDP1HIF1ADGAT1ALDH1A1KDM4E
SCHEMBL2186584 0.89 HIF1A (0.44) TDP1HIF1ADGAT1AAK1LPL
SCHEMBL20561806 0.88 HIF1A (0.43) TDP1HIF1ADGAT1ALDH1A1HTT
SCHEMBL20505151 0.87 CYP3A4 (0.49) TDP1HIF1ADGAT1KDM4EAAK1
SCHEMBL16898733 0.87 HIF1A (0.44) HIF1ADGAT1KDM4EAAK1LPL
SCHEMBL2863066 0.87 CSF1R (0.44) HIF1ADGAT1KDM4EAAK1LPL
SCHEMBL31061615 0.87 CSF1R (0.44) HIF1ADGAT1KDM4EAAK1LPL
SCHEMBL29134805 0.86 MKNK1 (0.48) HIF1ADGAT1KDM4EAAK1LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812114-B Isoxazole derivative, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-05-28 CN disclosed
US-20230113609-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. 2023-04-13 US disclosed
EP-4069702-A1 SSTR5 ANTAGONISTS Kallyope, Inc. (US) 2022-10-12 EP disclosed
WO-2021113368-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. (US) 2021-06-10 WO disclosed
WO-2021113368-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. (US) 2021-06-10 WO disclosed
CN-112812114-A Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative 四川科伦博泰生物医药股份有限公司 2021-05-18 CN disclosed
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 US disclosed
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 WO disclosed
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP 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 (4 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-20230113609-A1 SSTR5 ANTAGONISTS SSTR5, GLP1R, GPR119 TDP1 4211/4885HIF1A 1867/4885DGAT1 421/4885
US-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 TDP1 4572/4885HIF1A 1757/4885DGAT1 2223/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A TDP1 4423/4885HIF1A 2362/4885DGAT1 2352/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 TDP1 4559/4885HIF1A 2063/4885DGAT1 926/4885

“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.