SCHEMBL4223779

SCHEMBL4223779

Cc1nc([S+](C)[O-])ncc1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 6/20 0.46
TSHR P16473 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
TDP1 Q9NUW8 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
EGLN1 Q9GZT9 1/20 0.44
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL20201202 0.82 RAB9A (0.57) RAB9ANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL4234036 0.78 ALDH1A1 (0.57) RAB9ANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL4767486 0.75 TSHR (0.61) RAB9ANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL20201211 0.74 ALDH1A1 (0.53) RAB9ANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL4765935 0.73 RAB9A (0.64) RAB9ANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL20201203 0.73 ALDH1A1 (0.55) RAB9ANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL25541309 0.71 ALDH1A1 (0.53) RAB9ANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL20201207 0.71 ALDH1A1 (0.53) RAB9ANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL6266108 0.71 POLB (0.69) RAB9AALDH1A1TSHRL3MBTL1CASP3
SCHEMBL2440375 0.70 ALDH1A1 (0.51) RAB9ANPSR1ALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001851-B Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC 2011-04-20 CN disclosed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
CN-101001851-A Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC (JP) 2007-07-18 CN disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 RAB9A 2640/4885NPSR1 856/4885ALDH1A1 1014/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 RAB9A 2990/4885NPSR1 642/4885ALDH1A1 739/4885

“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.