SCHEMBL346732

SCHEMBL346732

COC(=O)C1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OGG1 O15527 1/20 0.45
KCNA1 Q09470 2/20 0.45
KCNAB1 Q14722 2/20 0.45
TRIM24 O15164 1/20 0.43
MEN1 O00255 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL346778 0.85 HTR6 (0.54) HTR6ALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL346625 0.80 NPC1 (0.58) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10260957 0.77 FAAH (0.57)
SCHEMBL4432302 0.76 MTNR1A (0.53) ALDH1A1KMT2A
SCHEMBL29882799 0.76 MTNR1A (0.53) ALDH1A1KMT2A
SCHEMBL8606735 0.75 MTNR1A (0.63)
SCHEMBL545767 0.75 MTNR1A (0.63)
SCHEMBL8074296 0.75 MTNR1A (0.63)
SCHEMBL346615 0.74 DRD3 (0.46) ALDH1A1KMT2A
SCHEMBL345972 0.74 FFAR1 (0.48) LMNASMN1; SMN2MEN1KMT2A

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
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HTR6 884/4885ALDH1A1 559/4885LMNA 1395/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HTR6 347/4885ALDH1A1 185/4885LMNA 2133/4885

“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.