SCHEMBL1002352

SCHEMBL1002352

CC(C)(C)[S+]([O-])NC(c1ccc(F)c(F)c1)(c1ccc(CO)cn1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
BACE1 P56817 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
SCHEMBL1002353 1.00 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC6CACNA1G
SCHEMBL1002351 1.00 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC6CACNA1G
SCHEMBL1001980 0.86 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6CACNA1G
SCHEMBL1001979 0.86 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6CACNA1G
SCHEMBL1003335 0.84
SCHEMBL1003336 0.84
SCHEMBL1003337 0.84
SCHEMBL1001773 0.82 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6CACNA1G
SCHEMBL1001772 0.82 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6CACNA1G
SCHEMBL1003002 0.76 S1PR3 (0.31) TRPV3

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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP 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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 HDAC3 1547/4885HDAC1 2185/4885HDAC2 1254/4885

“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.