SCHEMBL10183607

SCHEMBL10183607

CC(C)(C)c1cc(Cl)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
ACLY P53396 1/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1D P28221 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL803437 0.94 TSHR (0.50) GABRA1GABRB2ACLYPOLBTSHR
SCHEMBL13249067 0.87 RAPGEF4 (0.44) GABRA1GABRB2ACLYPOLBTSHR
SCHEMBL20933032 0.87 GABRA1 (0.48) GABRA1GABRB2ACLYPOLBTSHR
SCHEMBL25289427 0.84 GABRA1 (0.44) GABRA1GABRB2ACLYPOLBTSHR
SCHEMBL22870490 0.84 GABRA1 (0.44) GABRA1GABRB2ACLYPOLBTSHR
SCHEMBL8826911 0.84 POLB (0.41) GABRA1GABRB2ACLYPOLBTSHR
SCHEMBL93161 0.83 GABRA1 (0.69) GABRA1GABRB2POLBTSHRGAA
SCHEMBL13208190 0.82 GABRA1 (0.37) GABRA1GABRB2ACLYPOLBTSHR
SCHEMBL16953294 0.82 GABRA1 (0.37) GABRA1GABRB2ACLYPOLBTSHR
SCHEMBL3783775 0.82 CYP3A4 (0.55) GABRA1GABRB2ACLYPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114959994-A Preparation process of wool-polyester pearl fiber shirt fabric 江苏东图纺织有限公司 2022-08-30 CN claimed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2022-12-06 US disclosed
CN-114959994-A Preparation process of wool-polyester pearl fiber shirt fabric 江苏东图纺织有限公司 2022-08-30 CN disclosed
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2021-01-07 US disclosed
CN-107207550-B Metal complexes 默克专利有限公司 2020-06-05 CN disclosed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 US disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 US disclosed
US-8263629-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 US 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 (11 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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE GABRA1 5/4885GABRB2 10/4885ACLY 2995/4885
US-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 GABRA1 4199/4885GABRB2 3992/4885ACLY 1014/4885
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B GABRA1 2892/4885GABRB2 3388/4885ACLY 1969/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF GABRA1 3797/4885GABRB2 3476/4885ACLY 3438/4885
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN GABRA1 1128/4885GABRB2 1792/4885ACLY 3111/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE GABRA1 5/4885GABRB2 10/4885ACLY 2995/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN GABRA1 1128/4885GABRB2 1792/4885ACLY 3111/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME GABRA1 4388/4885GABRB2 4573/4885ACLY 2965/4885
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B GABRA1 2892/4885GABRB2 3388/4885ACLY 1969/4885
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B GABRA1 2892/4885GABRB2 3388/4885ACLY 1969/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN GABRA1 1128/4885GABRB2 1792/4885ACLY 3111/4885

“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.