SCHEMBL8549436

SCHEMBL8549436

CC(C)(C)OC(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.48
PKM P14618 1/20 0.44
LIG1 P18858 1/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM6 O15303 1/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL8549434 0.92 TSHR (0.44) DAOHPGDNPSR1TSHRMAPK1
SCHEMBL5919206 0.85 LMNA (0.53) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL16942053 0.83 ALDH1A1 (0.39) DAOHPGDNPSR1TSHRMAPK1
SCHEMBL8546580 0.82 HPGD (0.50) DAOPKMLIG1HPGDNPSR1
SCHEMBL4345360 0.81 DAO (0.53) DAOHPGDNPSR1TSHRMAPK1
SCHEMBL1185564 0.80 HPGD (0.44) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL1303016 0.79 NPSR1 (0.60) DAOPKMLIG1HPGDNPSR1
SCHEMBL5043396 0.79 CES2 (0.53) DAOHPGDNPSR1TSHRMAPK1
SCHEMBL17900427 0.79 GRM6 (0.43) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL15079224 0.79 GSK3B (0.51) HPGDNPSR1TSHRMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099692-B9 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-11-13 EP disclosed
EP-3099692-B9 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-11-13 EP disclosed
US-10391182-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2019-08-27 US disclosed
US-10391182-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2019-08-27 US disclosed
EP-3521292-A1 BIFUNCTIONAL CYTOTOXIC AGENTS Pfizer Inc (US) 2019-08-07 EP disclosed
EP-3521292-A1 BIFUNCTIONAL CYTOTOXIC AGENTS Pfizer Inc (US) 2019-08-07 EP disclosed
EP-3099692-B1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-03-13 EP disclosed
EP-3099692-B1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-03-13 EP disclosed
US-20180339060-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. (US) 2018-11-29 US disclosed
US-10086085-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2018-10-02 US disclosed
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 US disclosed
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 US disclosed
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 US disclosed
WO-2014138562-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-12 WO disclosed
EP-0719774-B1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS (JP) 1998-06-03 EP disclosed
EP-0719774-A1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-07-03 EP disclosed
US-5310940-A Sulfiding, cyclization SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-05-10 US disclosed
US-5221749-A Reacting a thiophene,2,5-dicarboxylic acid diester with a 2-aminophenol in the presence of an acid catalyst SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-06-22 US disclosed
US-5093504-A PRODUCTION OF THIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS, TETRAHYDROTHIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS AND DIBENZOXAZOLYLTHIOPHENES SUMITOMO SEIKA CHEMICALS, CO., LTD. (JP) 1992-03-03 US disclosed
EP-0387725-A2 Production of thiophene-2,5-dicarboxylic acid diesters and tetrahydrothiophene-2,5-dicarboxylic acid diesters SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1990-09-19 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 (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-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PAICS, CYTH3, CYTH2 DAO 2458/4885PKM 4567/4885LIG1 1113/4885
US-10086085-B2 Bifunctional cytotoxic agents PAICS, CYTH3, CYTH2 DAO 2458/4885PKM 4567/4885LIG1 1113/4885
US-10391182-B2 Bifunctional cytotoxic agents PAICS, CYTH3, CYTH2 DAO 2458/4885PKM 4567/4885LIG1 1113/4885
US-20180339060-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PAICS, CYTH3, CYTH2 DAO 2458/4885PKM 4567/4885LIG1 1113/4885

“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.