SCHEMBL503539

SCHEMBL503539

FC(F)(F)Sc1ccc(I)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PTPRZ1 P23471 4/20 0.50
PTPN1 P18031 2/20 0.50
LMNA P02545 2/20 0.40
KIF11 P52732 1/20 0.40
HTT P42858 1/20 0.40
KCNK2 O95069 5/20 0.39
KCNK10 P57789 4/20 0.39
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 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
SCHEMBL16705589 0.87 PTPRZ1 (0.50) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL1746519 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL1746520 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL7940607 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL10978325 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL7014603 0.74 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL518851 0.74 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL10935258 0.74 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL765788 0.74 TDP1 (0.58) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL978570 0.74 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1PTPRZ1PTPN1

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-111655700-B Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2023-07-18 CN disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
EP-3746451-A1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-12-09 EP disclosed
CN-111655700-A Benzyl-, (pyridin-3-yl) methyl-or (pyridin-4-yl) methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2020-09-11 CN disclosed
CN-110683926-A Preparation method of carboxylic acid aryl ester compound 北京大学深圳研究生院 2020-01-14 CN disclosed
WO-2019149657-A1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 WO disclosed
EP-3169662-B1 SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
CN-102516000-B Method for synthesizing aryl trifluoromethyl sulphydryl compound SHANGHAI INST ORGANIC CHEM 2014-07-23 CN disclosed
US-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 US disclosed
WO-2010076566-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed
WO-2007137098-A2 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-29 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 (3 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R ALDH1A1 816/4885KDM4E 1630/4885TDP1 3570/4885
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS MBOAT4, GIPR, ADIPOR1 ALDH1A1 630/4885KDM4E 466/4885TDP1 2683/4885
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, ADIPOR1, GIPR ALDH1A1 461/4885KDM4E 376/4885TDP1 2350/4885

“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.