SCHEMBL6422328

SCHEMBL6422328

COc1ccc2c(c1)cc(C(=O)c1ccc(C)cc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.72
HDAC6 Q9UBN7 6/20 0.72
HDAC3 O15379 5/20 0.72
HDAC4 P56524 5/20 0.72
HDAC7 Q8WUI4 5/20 0.72
HDAC2 Q92769 5/20 0.72
HDAC10 Q969S8 5/20 0.72
HDAC11 Q96DB2 5/20 0.72
HDAC8 Q9BY41 5/20 0.72
HDAC9 Q9UKV0 5/20 0.72
HDAC5 Q9UQL6 5/20 0.72
HTR6 P50406 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL7066710 0.90 HDAC1 (0.71) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6866199 0.90 HDAC3 (0.69) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7061803 0.89 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6865379 0.86 HDAC3 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL430164 0.85 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL17927522 0.85 HTR6 (0.69) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL17927510 0.85 HDAC1 (0.64) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL17927570 0.84 HDAC3 (0.64) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL17927541 0.84 MEN1 (0.64) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1443617 0.83 HDAC3 (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 HDAC1 17/4885HDAC6 89/4885HDAC3 70/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 HDAC1 51/4885HDAC6 264/4885HDAC3 109/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 HDAC1 50/4885HDAC6 299/4885HDAC3 112/4885

“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.