SCHEMBL980002

SCHEMBL980002

COC(=O)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.71
RAB9A P51151 2/20 0.67
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA7 P43166 1/20 0.53
ACR P10323 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
EGFR P00533 1/20 0.49

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
SCHEMBL14526611 0.84 STS (0.53) STSRAB9ACA1CA2MAPT
SCHEMBL30697344 0.84 STS (0.53) STSRAB9ACA1CA2MAPT
SCHEMBL9451322 0.83 STS (1.00) STSRAB9ACA1CA2CA12
SCHEMBL15685012 0.83 STS (0.69) STSRAB9ACA1CA2MAPT
SCHEMBL2893033 0.81 CA1 (0.48) STSRAB9ACA1CA2ALDH1A1
SCHEMBL23072877 0.80 CA1 (0.54) STSRAB9ACA1CA2ALDH1A1
SCHEMBL1928327 0.80 STS (0.65) STSRAB9ACA1CA2MAPT
SCHEMBL581277 0.80 STS (0.73) STSCA1CA2LMNACA12
SCHEMBL1680061 0.80 STS (0.73) STSCA1CA2LMNACA12
SCHEMBL1665316 0.80 CA1 (0.57) STSRAB9ACA1CA2ALDH1A1

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
WO-2023278766-A1 ELECTROCHEMICAL REDUCTIVE COUPLING OF PHENOL DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-01-05 WO disclosed
CN-113329998-A Sulfonimidyl amide compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-31 CN disclosed
CN-113316566-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-27 CN disclosed
US-9181181-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2015-11-10 US disclosed
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2014-10-09 US disclosed
US-8785681-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2014-07-22 US disclosed
EP-2125711-B1 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2013-11-06 EP disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2011-07-07 US disclosed
US-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2011-01-27 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
EP-2125711-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE Albireo Ab (SE) 2009-12-02 EP disclosed
WO-2008108735-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2008-09-12 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 (4 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-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 STS 1971/4885RAB9A 4038/4885CA1 732/4885
US-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE TPMT, FABP2, PTGES2 STS 289/4885RAB9A 4446/4885CA1 3281/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 STS 280/4885RAB9A 4457/4885CA1 3164/4885
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 STS 280/4885RAB9A 4457/4885CA1 3164/4885

“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.