SCHEMBL2780503

SCHEMBL2780503

COC(=O)C1(Cc2ccc(Cl)cc2Cl)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
ALDH1A1 P00352 1/20 0.48
ANO1 Q5XXA6 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
STS P08842 3/20 0.43
CNR1 P21554 1/20 0.41
EPHX2 P34913 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL2781422 0.89 ALDH1A1 (0.47) PKMALDH1A1ANO1MEN1KMT2A
SCHEMBL14385908 0.85 KMT2A (0.41) PKMALDH1A1MEN1KMT2ACNR1
SCHEMBL2781425 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AEPHX2HTT
SCHEMBL1002999 0.84 PKM (0.53) PKMALDH1A1MEN1KMT2ASTS
SCHEMBL24635744 0.81 PKM (0.52) PKMALDH1A1EPHX2SMN1; SMN2
SCHEMBL21397616 0.81 PKM (0.52) PKM
SCHEMBL30529408 0.81 PKM (0.52) PKM
SCHEMBL21383697 0.79 PKM (0.55) PKMTSHR
SCHEMBL7842880 0.79 PKM (0.52) PKMALDH1A1KMT2ALMNATSHR
SCHEMBL29826278 0.79 PKM (0.46) PKMALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 PKM 137/4885ALDH1A1 2942/4885ANO1 2803/4885

“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.