SCHEMBL24252075

SCHEMBL24252075

CC(C)(S)Oc1ccc(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
FFAR1 O14842 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL24252041 0.83 HTR2C (0.34) HTR2AHTR2CHTR2BFFAR1CES2
SCHEMBL17186941 0.75 ELANE (0.33) HTR2AHTR2CHTR2B
SCHEMBL17186806 0.73 PPARA (0.47) CES2CES1
SCHEMBL802723 0.70 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL15738889 0.69 FFAR1 (0.32) FFAR1
SCHEMBL15512399 0.69 CES2 (0.39) HTR2AHTR2CHTR2BFFAR1CES2
SCHEMBL15736497 0.68 FFAR1 (0.31) FFAR1
SCHEMBL15738365 0.68 FFAR1 (0.31) FFAR1
SCHEMBL15735867 0.68 FFAR1 (0.31) FFAR1
SCHEMBL13748809 0.68 HTR2A (0.44) HTR2AHTR2CHTR2B

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 HTR2A 4415/4885HTR2C 3134/4885HTR2B 3455/4885

“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.