SCHEMBL22624062

SCHEMBL22624062

CCC(C)(C)C1CC(O)(C(F)(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 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
SCHEMBL26152318 0.78 HSD11B1 (0.36) HSD11B1
SCHEMBL22624043 0.73 KDM4E (0.35) KDM4E
SCHEMBL21347098 0.71 HSD11B1 (0.32) HSD11B1
SCHEMBL25543614 0.71 HSD11B1 (0.32) HSD11B1
SCHEMBL20727450 0.69 HSD11B1 (0.35) HSD11B1
SCHEMBL22887047 0.69 HSD11B1 (0.35) HSD11B1
SCHEMBL21948554 0.69 HSD11B1 (0.35) HSD11B1
SCHEMBL18819429 0.69
SCHEMBL17987328 0.68 KDM4E (0.36) KDM4E
SCHEMBL22105484 0.68 FYN (0.31) HSD11B1

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 KDM4E 1830/4885HSD11B1 4143/4885

“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.