SCHEMBL9279028

SCHEMBL9279028

CC(C)(C)C(=O)COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAOB P27338 1/20 0.50
AOC3 Q16853 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HRH3 Q9Y5N1 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX2 P34913 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
AR P10275 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
POLB P06746 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL11169076 0.82 MAPT (0.49) ALDH1A1MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL12824120 0.82 ALDH1A1 (0.54) ALDH1A1MAOBAOC3SMN1; SMN2HRH3
SCHEMBL8247256 0.80 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL12622681 0.80 LMNA (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL656941 0.80 ALOX15 (0.59) ALDH1A1MAOBAOC3SMN1; SMN2HRH3
SCHEMBL10931456 0.80 MAPK1 (0.59) ALDH1A1SMN1; SMN2AR
SCHEMBL2173764 0.80 PSEN1 (0.52) ALDH1A1MAOBAOC3SMN1; SMN2HRH3
SCHEMBL13279565 0.79 MEN1 (0.63) ALDH1A1MAOBAOC3SMN1; SMN2HRH3
SCHEMBL934362 0.79 ALDH1A1 (0.55) ALDH1A1MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL12622683 0.79 SMN1; SMN2 (0.71) ALDH1A1MAOBAOC3SMN1; SMN2MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 US disclosed
EP-2646418-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PARASITIC AGENTS BAYER IP GMBH (DE) 2017-10-04 EP disclosed
EP-2646418-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PARASITIC AGENTS BAYER IP GMBH (DE) 2017-10-04 EP disclosed
US-9241487-B2 Pyrimidine derivatives and use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 US disclosed
US-9241487-B2 Pyrimidine derivatives and use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 US disclosed
US-9241487-B2 Pyrimidine derivatives and use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 US disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
EP-2646418-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-10-09 EP disclosed
WO-2012072547-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-06-07 WO disclosed
WO-2012072547-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-06-07 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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL ALDH1A1 2252/4885MAOB 2548/4885AOC3 2046/4885
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES TYMP, TYMS, UMPS ALDH1A1 2374/4885MAOB 718/4885AOC3 2083/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL ALDH1A1 2252/4885MAOB 2548/4885AOC3 2046/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ALDH1A1 1863/4885MAOB 1780/4885AOC3 1873/4885

“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.