SCHEMBL7907381

SCHEMBL7907381

CC(C)CC(C)(C)CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MMP8 P22894 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
FDPS P14324 1/20 0.31
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL16280996 0.79 KDM4E (0.42) KDM4EFDPSTSHRCYP2C19
SCHEMBL1067575 0.78 CPT2 (0.50) KDM4EMMP8GRM2GRM3TSHR
Hydrogen Peroxide SCHEMBL28864226 0.78 CPT2 (0.50) KDM4EMMP8GRM2GRM3TSHR
SCHEMBL15080397 0.78 ALDH1A1 (0.42) KDM4EMMP8CYP2C19
SCHEMBL10538961 0.77 FFAR1 (0.35) KDM4E
SCHEMBL22062527 0.77 KDM4E (0.31) KDM4ECYP2C19
SCHEMBL23679021 0.76
SCHEMBL6055135 0.76 MMP8 (0.36) MMP8GRM2GRM3TSHRCYP2C19
SCHEMBL10216230 0.76 MMP8 (0.32) MMP8CYP2C19
SCHEMBL12308797 0.76 CTSD (0.37) KDM4EMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097038-A1 CLEAVABLE RADIOLIGANDS FOR TARGETING CELL SURFACE RECEPTORS AND USES THEREOF FULL-LIFE TECHNOLOGIES U.S. INC. (US) 2023-06-01 WO disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
US-20230043447-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2023-02-09 US disclosed
US-11135307-B2 Peptide-containing linkers for antibody-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-2758052-B9 Pharmaceutical composition comprising an HDAC inhibitor and a cyclopolysaccharide EURO CELTIQUE SA (LU) 2019-03-27 EP disclosed
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2018-06-07 US disclosed
EP-3318284-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN HDAC INHIBITOR AND A CYCLOPOLYSACCHARIDE EURO-CELTIQUE S.A. (LU) 2018-05-09 EP disclosed
EP-2758052-B1 Pharmaceutical composition comprising an HDAC inhibitor and a cyclopolysaccharide EURO CELTIQUE SA (LU) 2018-02-14 EP disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
WO-2010085377-A2 HYDROXAMIC ACID DERIVATIVES CRYSTAL BIOPHARMACEUTICAL LLC (US) 2010-07-29 WO disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US disclosed
US-4889946-A Phenoxybenzoic acid compounds and herbicidal and plant growth regulant compositions BAYER AKTIENGESELLSCHAFT (DE) 1989-12-26 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 (5 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-11135307-B2 Peptide-containing linkers for antibody-drug conjugates CD2BP2, DNPEP, LNPEP KDM4E 3327/4885MMP8 1916/4885GRM2 3518/4885
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 KDM4E 2542/4885MMP8 2451/4885GRM2 1562/4885
US-20230043447-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES CD2BP2, DNPEP, LNPEP KDM4E 3327/4885MMP8 1916/4885GRM2 3518/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 KDM4E 1256/4885MMP8 4591/4885GRM2 96/4885
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES CD2BP2, DNPEP, LNPEP KDM4E 3327/4885MMP8 1916/4885GRM2 3518/4885

“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.