SCHEMBL21993472

SCHEMBL21993472

COc1ccc(OC(F)(F)F)cc1CNC(=O)C(=O)NN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
TACR1 P25103 8/20 0.45
KCNH2 Q12809 2/20 0.43
CSNK1D P48730 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21993800 0.85 KDM4E (0.43) PPARGPPARDPPARAHTR2CKDM4E
SCHEMBL5598110 0.81 PPARG (0.50) PPARGPPARDPPARATACR1KCNH2
SCHEMBL6541429 0.78 TACR1 (0.46) PPARGPPARDPPARATACR1KCNH2
SCHEMBL15118586 0.77 KCNH2 (0.50) TACR1KCNH2CYP2D6HTR1AHTR2A
SCHEMBL15682813 0.77 TAS1R3 (0.60) GAA
Hydrochloric Acid SCHEMBL6541423 0.77 TACR1 (0.48) PPARGPPARDPPARATACR1KCNH2
SCHEMBL15682671 0.76 EPHX2 (0.56) PPARGPPARAHTR2CKDM4E
SCHEMBL22220774 0.75 HCRTR1 (0.49) PPARGPPARDPPARATACR1KCNH2
SCHEMBL17764790 0.75 HSD17B10 (0.72) PPARGPPARDPPARATACR1KCNH2
SCHEMBL15682809 0.74 MAPK14 (0.59) PPARGPPARDPPARAHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387356-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-08 US disclosed
US-20200147007-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE EASTERN MICHIGAN UNIVERSITY 2020-05-14 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 (2 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-20220387356-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE SERPINE1, PLAT, SERPINC1 PPARG 1112/4885PPARD 1636/4885PPARA 1025/4885
US-20200147007-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE SERPINE1, PLAT, SERPINC1 PPARG 1112/4885PPARD 1636/4885PPARA 1025/4885

“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.