SCHEMBL22355146

SCHEMBL22355146

COC(=O)C(CC(F)(F)F)NC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CTRB1 P17538 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.35
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA3 P07451 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
SCHEMBL23730611 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL20329580 0.80 MAPT (0.55) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL18234094 0.79 CYP1A2 (0.43) NFKB1CA1CA2CA12CA7
Hydrochloric Acid SCHEMBL30878180 0.78 NOS3 (0.34) SMN1; SMN2CA1CA2NOS3NOS1
SCHEMBL24282004 0.78 HTT (0.33) SMN1; SMN2CA1CA2NOS3NOS1
SCHEMBL8820895 0.78 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064041 0.77 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064309 0.77 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064029 0.77 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL27353524 0.77 MAPT (0.35) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 — — 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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH SMN1; SMN2 4688/4885KDM4E 3292/4885MAPT 4523/4885

“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.

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