SCHEMBL12435926

SCHEMBL12435926

COc1cc(SC(=O)c2ccc(CO)c(NC(=O)C(C)F)c2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MMP2 P08253 1/20 0.36
ADAM17 P78536 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 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
SCHEMBL12435921 0.90 LMNA (0.43) LMNAMAPTKMT2AALDH1A1HTT
SCHEMBL2359445 0.88 LMNA (0.47) LMNAMAPTKMT2AALDH1A1HTT
SCHEMBL12435932 0.86 LMNA (0.45) LMNAMAPTKMT2AALDH1A1HTT
SCHEMBL12435927 0.85 LMNA (0.43) LMNAMAPTKMT2AALDH1A1HTT
SCHEMBL12435935 0.84 ATM (0.49) LMNAMAPTKMT2AHTTMEN1
SCHEMBL12435912 0.84 HTT (0.44) LMNAMAPTKMT2AALDH1A1HTT
SCHEMBL12435931 0.83 KDM4E (0.40) LMNAMAPTKMT2AALDH1A1HTT
SCHEMBL12435928 0.83 KMT2A (0.42) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL17507529 0.77 LMNA (0.47) LMNAMAPTKMT2AALDH1A1HTT
SCHEMBL12435906 0.76 LMNA (0.49) LMNAMAPTKMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 LMNA 2812/4885MAPT 3474/4885KMT2A 964/4885

“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.