SCHEMBL1981933

SCHEMBL1981933

CCc1cc(-c2cccs2)ccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.59
▸ ACLY P53396 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ DHODH Q02127 1/20 0.45
▸ DCLRE1A Q6PJP8 1/20 0.45
▸ DCLRE1B Q9H816 1/20 0.45
▸ HDAC2 Q92769 8/20 0.45
▸ HDAC1 Q13547 7/20 0.45
▸ HDAC3 O15379 5/20 0.45
▸ FTO Q9C0B1 1/20 0.44
▸ TNFRSF1A P19438 1/20 0.43
▸ GPR17 Q13304 1/20 0.43
▸ ERN1 O75460 1/20 0.43

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
SCHEMBL28745316 0.87 PTPN1 (0.48) PTPN1HDAC2HDAC1HDAC3
SCHEMBL10024278 0.81 KDM4E (0.54) PTPN1ACLYKDM4EDHODHHDAC2
SCHEMBL1546629 0.80 KDM4E (0.52) PTPN1ACLYKDM4EHDAC2HDAC1
SCHEMBL2770912 0.80 DCLRE1B (0.59) ACLYKDM4EDCLRE1ADCLRE1B
SCHEMBL22126665 0.80 HNF4A (0.59) PTPN1ACLYKDM4EDHODHFTO
SCHEMBL14137893 0.80 ERN1 (0.58) PTPN1HDAC2HDAC1HDAC3ERN1
SCHEMBL10024261 0.78 PTPN1 (0.55) PTPN1ACLYKDM4EDHODHHDAC2
SCHEMBL21857924 0.78 KCNH2 (0.62) PTPN1ACLYHDAC2HDAC1HDAC3
SCHEMBL4652841 0.78 PTPN1 (0.51) PTPN1ACLYKDM4EDHODHHDAC2
SCHEMBL27816589 0.77 ALDH1A1 (0.49) PTPN1KDM4EHDAC2HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 — — US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 — — EP disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 — — US disclosed
EP-1233958-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2011-06-29 — — EP disclosed
EP-1973872-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF Methylgene, Inc. (CA) 2008-10-01 — — EP disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 — — WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 — — US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 — — US disclosed
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 — — EP disclosed
US-6541661-B1 For treating cell proliferative diseases and conditions METHYLGENE, INC. (CA) 2003-04-01 — — US disclosed
EP-1233958-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2002-08-28 — — EP disclosed
WO-2001038322-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-05-31 — — 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 PTPN1 1882/4885ACLY 1127/4885KDM4E 71/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 PTPN1 1882/4885ACLY 1127/4885KDM4E 71/4885

“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.

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