SCHEMBL22184937

SCHEMBL22184937

CC(C)c1cc2ccc(F)c(Cl)c2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 3/20 0.40
TNF P01375 1/20 0.40
RIPK1 Q13546 1/20 0.40
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
DAO P14920 3/20 0.37
TRPV1 Q8NER1 3/20 0.37
DDO Q99489 1/20 0.36
IDH1 O75874 6/20 0.35
GCGR P47871 1/20 0.34

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
SCHEMBL21549766 0.80 IDH1 (0.49) EIF4A3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22198962 0.80 TNF (0.43) TNFRIPK1GRIN2DGRIN3BGRIN1
SCHEMBL22185210 0.79 PDE3B (0.40) TRPV1IDH1
SCHEMBL22185211 0.77 TNF (0.41) TNFRIPK1GRIN2DGRIN3BGRIN1
SCHEMBL3363264 0.76 DAO (0.61) TNFRIPK1GRIN2DGRIN3BGRIN1
SCHEMBL22184925 0.75 DAO (0.59) DAODDO
SCHEMBL22184879 0.74 EIF4A3 (0.45) EIF4A3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22184887 0.72 IDH1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21549755 0.71 IDH1 (0.53) EIF4A3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7122481 0.70 DAO (0.58) DAOIDH1

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A EIF4A3 3498/4885TNF 3164/4885RIPK1 3357/4885

“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.