SCHEMBL4664901

SCHEMBL4664901

CC(C)(C)c1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.54
LMNA P02545 2/20 0.50
HDAC1 Q13547 1/20 0.50
TYR P14679 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
CYP1A2 P05177 1/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
SLC13A5 Q86YT5 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3497043 0.92 MAPT (0.52) SRD5A2HDAC1MAPTKMT2ATSHR
SCHEMBL1107163 0.83 TSHR (0.50) SRD5A2LMNAHDAC1SMN1; SMN2MAPT
SCHEMBL1819260 0.83 ESR1 (0.54) LMNATYRMAPTKMT2ATSHR
SCHEMBL6571 0.82 MAPT (0.67) HDAC1CYP1A2MAPTKMT2ATSHR
SCHEMBL127443 0.81 MAPT (0.43) SRD5A2HDAC1SMN1; SMN2MAPTKMT2A
SCHEMBL9130779 0.81 SRD5A2 (0.61) SRD5A2TYRSMN1; SMN2RARBRARG
SCHEMBL262460 0.81 MAPT (0.48) LMNAMAPTKMT2ATDP1EPHX2
SCHEMBL697244 0.81 MAP4K4 (0.55) SMN1; SMN2CYP1A2MAPTKMT2ATSHR
SCHEMBL1626471 0.81 APP (0.62) SRD5A2LMNACYP1A2MAPTKMT2A
SCHEMBL6673990 0.81 SRD5A2 (0.50) SRD5A2LMNAHDAC1TYRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787824-B2 Titanium heterometallic metal-organic solids, method for obtaining them and their uses UNIVERSITAT DE VALÈNCIA (ES) 2023-10-17 US disclosed
CN-111417707-A Storage-stable enzyme preparations, their production and use 巴斯夫欧洲公司 2020-07-14 CN disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 US disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 EP disclosed
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 US disclosed
US-6075120-A A HETERODIMERIC PEPTIDE MODULATOR; FOR THE TREATMENT OF ASTHMA; FOR THE TREATMENT OF PAIN; ANTIINFLAMMATORY AGENTS CORTECH, INC. (US) 2000-06-13 US disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
US-5863899-A ANALGESICS AND ANTIINFLAMMATORY AGENT; A MORPHINE OR DERIVATIVE IS ATTACHED TO BRANDYKININ ANTAGONIST PEPTIDE BY MALEIMIDO OR AMINO ACID ANALOG LINKER CORTECH, INC. (US) 1999-01-26 US disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
EP-0671941-A4 BRADYKININ ANTAGONISTS. CORTECH INC (US) 1996-05-29 EP disclosed
EP-0671941-A1 BRADYKININ ANTAGONISTS CORTECH, INC. (US) 1995-09-20 EP disclosed
WO-1994011021-A1 BRADYKININ ANTAGONISTS CORTECH, INC. (US) 1994-05-26 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 (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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 SRD5A2 1610/4885LMNA 3909/4885HDAC1 1292/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 SRD5A2 833/4885LMNA 2852/4885HDAC1 514/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 SRD5A2 4390/4885LMNA 4726/4885HDAC1 233/4885
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 SRD5A2 2942/4885LMNA 1625/4885HDAC1 89/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 SRD5A2 2942/4885LMNA 1625/4885HDAC1 89/4885
US-11787824-B2 Titanium heterometallic metal-organic solids, method for obtaining them and their uses FTO, TDO2, PICALM SRD5A2 3163/4885LMNA 3973/4885HDAC1 925/4885

“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.