SCHEMBL6979862

SCHEMBL6979862

CC(C)(C)[Si](C)(C)OCCc1ccc(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
DAO P14920 5/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 3/20 0.36
PKM P14618 1/20 0.36
LIG1 P18858 1/20 0.36
FOLR1 P15328 1/20 0.36
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGDR Q13258 1/20 0.35
DUT P33316 2/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3584022 0.85 MRGPRX4 (0.45) TP53DAOALDH1A1MRGPRX4TDP1
SCHEMBL16765952 0.82 MAPT (0.39) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL1246103 0.78 DUT (0.35) DUT
SCHEMBL2142085 0.78 DUT (0.35) ALDH1A1HPGDDUTMAPT
SCHEMBL2139606 0.78 DUT (0.35) DUT
SCHEMBL16798209 0.77 NR1I2 (0.32) HPGDTSHRMAPK1ATMNPSR1
SCHEMBL22607900 0.76 USP2 (0.38) DAOALDH1A1LMNAHPGDDUT
SCHEMBL29051983 0.76 HDAC3 (0.46) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL18260608 0.76 KMT2A (0.39) TP53ALDH1A1TDP1POLBHPGD
SCHEMBL16798208 0.75 ALDH1A1 (0.31) ALDH1A1LMNAPRNPRECQLRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 US disclosed
CN-111511736-B Nitrogen-containing 6-membered ring compound 旭化成制药株式会社 2023-03-24 CN disclosed
EP-3733665-B1 2-OXO-1,3,4-THIADIAZINAN-3-YL MOIETY CONTAINING COMPOUNDS WITH EP4 RECEPTOR AGONIST ACTIVITY ASAHI KASEI PHARMA CORP (JP) 2022-09-28 EP disclosed
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2021-06-24 US disclosed
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2021-06-24 US disclosed
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2021-04-27 US disclosed
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2021-04-27 US disclosed
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2020-11-05 US disclosed
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2020-11-05 US disclosed
EP-3733665-A1 NITROGEN-CONTAINING SIX-MEMBERED RING COMPOUND Asahi Kasei Pharma Corporation (JP) 2020-11-04 EP disclosed
EP-1109560-B1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMA (US) 2003-08-27 EP disclosed
US-6525050-B1 Inhibit the enzyme aminoimidazole carboxamide ribonucleotide formyl transferase; antiproliferative agents; antitumor, antiinflammatory, antipsoriatic, and/or immunosuppressive AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2002-11-21 US disclosed
EP-1109560-A4 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMA (US) 2002-04-17 EP disclosed
US-6323210-B2 TRANSFERASE INHIBITOR AGOURON PHARMACEUTICALS, INC. 2001-11-27 US disclosed
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2001-08-30 US disclosed
EP-1109560-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-27 EP disclosed
US-6207670-B1 USE TO INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICROORGANISMS SUCH AS BACTERIA, YEAST AND FUNGI AGOURON PHARMACEUTICALS, INC. 2001-03-27 US disclosed
WO-2000013688-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed
EP-0674516-B1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMA (US) 2000-02-02 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 (6 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-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 TP53 4551/4885DAO 2561/4885ALDH1A1 3705/4885
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 TP53 4551/4885DAO 2561/4885ALDH1A1 3705/4885
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 TP53 1784/4885DAO 782/4885ALDH1A1 250/4885
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 TP53 4551/4885DAO 2561/4885ALDH1A1 3705/4885
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 TP53 4551/4885DAO 2561/4885ALDH1A1 3705/4885
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 TP53 1784/4885DAO 782/4885ALDH1A1 250/4885

“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.