SCHEMBL308828

SCHEMBL308828

[CH2]C1=Cc2ccccc2S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4466415 0.73
SCHEMBL11633944 0.73 GPR3 (0.41) GPR3MEN1KMT2ANOX1CA12
SCHEMBL8024079 0.73 GPR3 (0.41) GPR3MEN1KMT2ANOX1CA12
SCHEMBL308829 0.73 GPR3 (0.41) GPR3MEN1KMT2ANOX1CA12
SCHEMBL30430615 0.73 GPR3 (0.41) GPR3MEN1KMT2ANOX1CA12
SCHEMBL10860629 0.73 GPR3 (0.41) GPR3MEN1KMT2ANOX1CA12
SCHEMBL11638030 0.73 GPR3 (0.41) GPR3MEN1KMT2ANOX1CA12
SCHEMBL11036902 0.70 GPR3 (0.55) GPR3MEN1KMT2ANOX1CA12
SCHEMBL30429636 0.70 CA12 (0.41) GPR3MEN1KMT2ANOX1CA12
SCHEMBL9317135 0.68 GPR3 (0.37) GPR3MEN1KMT2ANOX1LMNA

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 274 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP claimed
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 EP claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP claimed
US-8093354-B2 Process for preparing glycopeptide phosphonate derivatives THERAVANCE, INC. (US) 2012-01-10 US claimed
US-20110060122-A1 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2011-03-10 US claimed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US claimed
US-20080227963-A1 Process for preparing glycopeptide phosphonate derivatives CUMBERLAND PHARMACEUTICALS INC. 2008-09-18 US claimed
EP-1419174-A2 PROCESS FOR PREPARING GLYCOPEPTIDE DERIVATIVES Theravance, Inc. (US) 2004-05-19 EP claimed
WO-2003029270-A2 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2003-04-10 WO claimed
US-20030069391-A1 Process for preparing glycopeptide phosphonate derivatives CUMBERLAND PHARMACEUTICALS INC. 2003-04-10 US claimed
US-20030045457-A1 Process for preparing glycopeptide derivatives CUMBERLAND PHARMACEUTICALS INC. 2003-03-06 US claimed
WO-2003018607-A2 PROCESS FOR PREPARING GLYCOPEPTIDE DERIVATIVES THERAVANCE, INC. (US) 2003-03-06 WO claimed
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP claimed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US claimed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US claimed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP claimed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20030045457-A1 Process for preparing glycopeptide derivatives GYPA, VIP, OGT GPR3 2290/4885MEN1 3165/4885KMT2A 4121/4885
US-20080227963-A1 Process for preparing glycopeptide phosphonate derivatives PGLS, GYPA, PAG1 GPR3 2622/4885MEN1 2435/4885KMT2A 4252/4885
US-20110060122-A1 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES PGLS, GYPA, PAG1 GPR3 2622/4885MEN1 2435/4885KMT2A 4252/4885
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 GPR3 2968/4885MEN1 4602/4885KMT2A 84/4885
US-20030069391-A1 Process for preparing glycopeptide phosphonate derivatives PGLS, GYPA, PAG1 GPR3 2622/4885MEN1 2435/4885KMT2A 4252/4885

“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.