SCHEMBL6540367

SCHEMBL6540367

CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1ccc(Sc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
TDP1 Q9NUW8 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
SRD5A1 P18405 1/20 0.38
LPAR1 Q92633 4/20 0.37
LPAR5 Q9H1C0 4/20 0.37
YAP1 P46937 1/20 0.37
TEAD4 Q15561 1/20 0.37
TEAD2 Q15562 1/20 0.37
RECQL P46063 1/20 0.37
MMP13 P45452 1/20 0.37
AKT1 P31749 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6539899 0.93 RCE1 (0.42) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6540212 0.85 LPAR1 (0.39) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6540802 0.81 HDAC3 (0.42) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6541405 0.78 LPAR1 (0.54) HDAC3HDAC1HDAC2NCOR2TDP1
SCHEMBL22449040 0.78 HDAC3 (0.41) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL6540935 0.77 LPAR1 (0.48) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6541235 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL6539552 0.76 HTR6 (0.39) HDAC3HDAC1HDAC2NCOR2LPAR1
SCHEMBL6539902 0.76 HDAC1 (0.49) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL6810353 0.75 HDAC1 (0.46) HDAC3HDAC1HDAC2NCOR2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 HDAC3 2501/4885HDAC1 1603/4885HDAC2 968/4885

“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.