SCHEMBL1888015

SCHEMBL1888015

Cc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NO)cc3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
HDAC1 Q13547 11/20 0.63
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC4 P56524 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52

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
SCHEMBL1884950 0.90 HDAC1 (0.78) MAPTMEN1KMT2AHDAC1LMNA
SCHEMBL6512630 0.90 HDAC1 (0.63) MAPTMEN1KMT2AHDAC1HDAC4
SCHEMBL15697526 0.89 MAPT (0.82) MAPTMEN1KMT2AHDAC1LMNA
SCHEMBL6508074 0.88 HDAC1 (0.63) MAPTMEN1KMT2AHDAC1HDAC4
SCHEMBL1889670 0.88 HDAC1 (0.81) MAPTMEN1KMT2AHDAC1LMNA
SCHEMBL6513237 0.87 MAPT (0.65) MAPTMEN1KMT2AHDAC1ALDH1A1
SCHEMBL6508072 0.87 HDAC1 (0.63) MAPTMEN1KMT2AHDAC1LMNA
SCHEMBL15698887 0.87 MAPT (1.00) MAPTMEN1KMT2AHDAC1LMNA
SCHEMBL14260752 0.86 MEN1 (0.58) MAPTMEN1KMT2AHDAC1LMNA
SCHEMBL1892313 0.86 HDAC1 (0.71) MAPTMEN1KMT2AHDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US claimed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US claimed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 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-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives BRDT, TXN, TXNRD2 MAPT 1515/4885MEN1 4040/4885KMT2A 286/4885
US-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 MAPT 2607/4885MEN1 2925/4885KMT2A 45/4885

“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.