SCHEMBL22987130

SCHEMBL22987130

CCC(CC)(NC(=O)c1cc(F)c(N)c(Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 3/20 0.42
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HSD11B1 P28845 1/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34
PLAU P00749 1/20 0.32
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.30
SCN9A Q15858 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
SCHEMBL22987134 0.77 KDM4E (0.34) KDM4EALDH1A1GAAPOLBCNR2
SCHEMBL19067551 0.71 TTR (0.52) HDAC1HDAC6KDM4EALDH1A1CA1
SCHEMBL22987140 0.71 KDM4E (0.49) KDM4EALDH1A1GAAPOLBAPEX1
Hydrochloric Acid SCHEMBL11643074 0.70 HDAC1 (0.35) HDAC1HDAC6KDM4EPOLBAPEX1
Hydrochloric Acid SCHEMBL11629282 0.70 TTR (0.50) HDAC1HDAC6KDM4EALDH1A1POLB
SCHEMBL8048369 0.69 HDAC1 (0.46) HDAC1HDAC6POLBAPEX1
SCHEMBL24901830 0.69 GAA (0.47) HDAC1HDAC6KDM4EALDH1A1GAA
SCHEMBL22987071 0.69 ESR1 (0.40) HDAC1HDAC6KDM4EALDH1A1GAA
SCHEMBL11629278 0.68 CA1 (0.47) HDAC1HDAC6ALDH1A1CA1CA2
SCHEMBL23948541 0.68 CA1 (0.47) HDAC1HDAC6ALDH1A1GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3586838-B1 AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
EP-3586838-B1 AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
US-10925848-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-23 US disclosed
US-10925848-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-23 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 (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-10925848-B2 Amide derivative IDO1, IDO2, TPH1 HDAC1 101/4885HDAC6 207/4885KDM4E 2941/4885

“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.