SCHEMBL738598

SCHEMBL738598

COC(=O)CCC(C)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
SLC1A1 P43005 1/20 0.46
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35

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
Hydrochloric Acid SCHEMBL1262694 0.98 LMNA (0.50) TSHRLMNAKDM4ESLC1A1MGAM
Hydrochloric Acid SCHEMBL1261816 0.98 LMNA (0.50) TSHRLMNAKDM4ESLC1A1MGAM
SCHEMBL20025362 0.88 TSHR (0.54) TSHRLMNAKDM4ESLC1A1MGAM
SCHEMBL12951352 0.80 TSHR (0.52) TSHRLMNAKDM4ESLC1A1MGAM
SCHEMBL3584800 0.80 TSHR (0.52) TSHRLMNAKDM4ESLC1A1MGAM
SCHEMBL3309517 0.80 TSHR (0.52) TSHRLMNAKDM4ESLC1A1MGAM
SCHEMBL19326985 0.80 TSHR (0.52) TSHRLMNAKDM4ESLC1A1MGAM
SCHEMBL121006 0.80 TSHR (0.52) TSHRLMNAKDM4ESLC1A1MGAM
SCHEMBL3685300 0.80 TSHR (0.52) TSHRLMNAKDM4ESLC1A1MGAM
SCHEMBL24001173 0.78 TSHR (0.50) TSHRLMNAKDM4ESLC1A1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed
CN-107835818-A Anthelmintic depsipeptide compounds 梅里亚股份有限公司 2018-03-23 CN disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO disclosed
US-8138182-B2 Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-20 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-0842196-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-05-20 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 (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-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT SERPINB1, CTSZ, ELANE TSHR 4219/4885LMNA 4036/4885KDM4E 2900/4885

“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.