SCHEMBL24252062

SCHEMBL24252062

CC(C)(C)Oc1ccc(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 1/20 0.44
PPARG P37231 6/20 0.42
PPARA Q07869 6/20 0.42
S1PR4 O95977 1/20 0.41
HSD11B1 P28845 1/20 0.39
HSD11B2 P80365 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
PDE2A O00408 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CCR2 P41597 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8549769 0.86 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL8396955 0.83 EPHX2 (0.50) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL2824526 0.82 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL22705604 0.82 PPARG (0.43) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL17107500 0.82 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL13008512 0.81 HSPB1 (0.42) PDE2A
SCHEMBL1417566 0.81 PPARA (0.56) PPARGPPARAHSD11B1HSD11B2KMT2A
SCHEMBL22688970 0.81 HSD11B1 (0.44) PPARGPPARAS1PR4HSD11B1HSD11B2
SCHEMBL3789232 0.80 TRPV4 (0.42) SLC6A4SLC6A2SLC6A3PPARAKMT2A
SCHEMBL7928216 0.80 PPARG (0.41) SLC6A4SLC6A2SLC6A3KCNH2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 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 (1 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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 SLC6A4 550/4885SLC6A2 614/4885SLC6A3 1783/4885

“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.