SCHEMBL10147239

SCHEMBL10147239

CC(C)c1ccc(C=O)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 11/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 7/20 0.39
POLB P06746 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
TYR P14679 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL28811654 0.82 GAA (0.45) GAAALDH1A1L3MBTL1HTTTSHR
SCHEMBL5596655 0.82 ALDH1A1 (0.45) GAAALDH1A1L3MBTL1HTTTSHR
SCHEMBL4732744 0.76 ALDH1A1 (0.48) GAAALDH1A1L3MBTL1HTTTSHR
SCHEMBL9223127 0.76 ALDH1A1 (0.44) GAAALDH1A1L3MBTL1HTTTSHR
SCHEMBL6495189 0.76 ALDH1A1 (0.43) GAAALDH1A1L3MBTL1HTTTSHR
SCHEMBL51391 0.76
SCHEMBL30643174 0.76 ALDH1A1 (0.44) GAAALDH1A1L3MBTL1HTTTSHR
SCHEMBL28926953 0.74 ALDH1A1 (0.47) GAAALDH1A1L3MBTL1HTTTSHR
SCHEMBL28562313 0.73 ALDH1A1 (0.54) GAAALDH1A1L3MBTL1HTTTSHR
SCHEMBL28576319 0.73 ALDH1A1 (0.54) GAAALDH1A1L3MBTL1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611732-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 US disclosed
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-9527798-B2 Cyclopropylboronic compounds, preparation process thereof and use thereof DIVERCHIM (FR) 2016-12-27 US disclosed
US-9192577-B2 Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid JANSSEN PHARMACEUTICA NV (BE) 2015-11-24 US disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 US disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 US disclosed
US-20140343006-A1 HIV Replication Inhibiting Pyrimidines JANSSEN PHARMACEUTICA NV (NL) 2014-11-20 US disclosed
US-8828982-B2 Pyrimidine derivatives for the prevention of HIV infection JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-09 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 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-20140343006-A1 HIV Replication Inhibiting Pyrimidines RRM2B, CCNO, RRM2 GAA 4791/4885ALDH1A1 3445/4885L3MBTL1 539/4885
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 GAA 4791/4885ALDH1A1 3445/4885L3MBTL1 539/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD GAA 4749/4885ALDH1A1 188/4885L3MBTL1 3825/4885
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 GAA 4791/4885ALDH1A1 3445/4885L3MBTL1 539/4885
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF HMBS, MMAB, FDPS GAA 1206/4885ALDH1A1 1615/4885L3MBTL1 4032/4885
US-10611732-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 GAA 4791/4885ALDH1A1 3445/4885L3MBTL1 539/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT GAA 2620/4885ALDH1A1 2133/4885L3MBTL1 3637/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 GAA 975/4885ALDH1A1 458/4885L3MBTL1 619/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 GAA 4878/4885ALDH1A1 1723/4885L3MBTL1 1435/4885
US-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 GAA 4791/4885ALDH1A1 3445/4885L3MBTL1 539/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 GAA 4791/4885ALDH1A1 3445/4885L3MBTL1 539/4885

“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.