SCHEMBL1377319

SCHEMBL1377319

CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(C=C(C)C(=O)O)c3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
ALDH1A1 P00352 3/20 0.66
TSHR P16473 1/20 0.66
HDAC3 O15379 4/20 0.56
HDAC4 P56524 4/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC7 Q8WUI4 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC11 Q96DB2 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56
GAA P10253 3/20 0.53
TNF P01375 3/20 0.53
NOD2 Q9HC29 2/20 0.53
NOD1 Q9Y239 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL1374582 0.91 HDAC3 (0.63) MAPTALDH1A1TSHRHDAC3HDAC4
SCHEMBL1373966 0.89 HDAC3 (0.65) MAPTALDH1A1TSHRHDAC3HDAC4
SCHEMBL1376645 0.86 HDAC3 (0.55) MAPTALDH1A1TSHRHDAC3HDAC4
SCHEMBL1374151 0.85 HDAC3 (0.67) MAPTALDH1A1TSHRHDAC3HDAC4
SCHEMBL1374147 0.85 HDAC3 (0.67) MAPTALDH1A1TSHRHDAC3HDAC4
SCHEMBL1374554 0.85 HDAC3 (0.64) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1375115 0.82 HDAC3 (0.63) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL12088964 0.81 ALDH1A1 (0.73) MAPTALDH1A1TSHRGAATNF
SCHEMBL1377318 0.81 HDAC3 (0.67) MAPTALDH1A1TSHRHDAC3HDAC4
SCHEMBL1377315 0.81 HDAC3 (0.67) MAPTALDH1A1TSHRHDAC3HDAC4

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-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-11-10 US disclosed
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 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 (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-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 MAPT 1214/4885ALDH1A1 1221/4885TSHR 3923/4885

“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.