SCHEMBL6915414

SCHEMBL6915414

CC(=O)CCS(=O)(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 3/20 0.66
HTT P42858 3/20 0.66
MEN1 O00255 1/20 0.66
LMNA P02545 1/20 0.66
GAA P10253 1/20 0.66
HSD11B1 P28845 6/20 0.65
MAPT P10636 2/20 0.64
POLB P06746 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.59
PSIP1 O75475 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL1232793 0.89 HDAC1 (0.57) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL30992152 0.86 HSD11B1 (0.54) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL5214593 0.86 MAPT (0.62) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL9374645 0.85 HDAC1 (0.67) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL1001018 0.83 HSD11B1 (0.69) ALDH1A1HTTHSD11B1MAPTPOLB
SCHEMBL6911921 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AHTTMEN1LMNA
Hydrochloric Acid SCHEMBL10584023 0.82 HSD11B1 (0.67) ALDH1A1HTTHSD11B1MAPTPOLB
SCHEMBL24590151 0.81 HSD11B1 (0.68) KMT2AHTTHSD11B1MAPTPOLB
SCHEMBL9316766 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL9626048 0.80 HSD11B1 (0.65) KMT2AHTTHSD11B1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234547-A2 PHARMACEUTICAL SALTS OF PYRIMIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS Takeda Pharmaceutical Company Limited (JP) 2023-08-30 EP disclosed
US-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2023-08-10 US disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2012-05-31 US disclosed
WO-2011015657-A1 PHENYL ETHYNYL DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-02-10 WO disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-6818423-B2 LOW-MOLECULAR-WEIGHT C4-C6-KETONES DERIVATIZED WITH REMOVABLE GROUP ARE REACTED WITH CYANIDE GROUP DONOR IN PRESENCE OF HYDROXYNITRILE LYASE OR BY RACEMIC REACTION, ACIDIC HYDROLYSIS, OPTIONALLY RESOLUTION, AND CLEAVAGE OF THE GROUP DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) 2004-11-16 US disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
US-20030092142-A1 Process for the preparation of chiral alpha-hydroxycarboxylic acids DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-05-15 US disclosed
EP-1310477-A2 Process for the preparation of chiral alpha-hydroxycarboxylic acids DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR ALDH1A1 3412/4885KMT2A 288/4885HTT 1948/4885
US-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS HCCS, NQO2, SQLE ALDH1A1 3225/4885KMT2A 1891/4885HTT 4101/4885
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors HAVCR2, ZC3HAV1, EIF2AK2 ALDH1A1 783/4885KMT2A 3568/4885HTT 1633/4885

“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.