SCHEMBL22402541

SCHEMBL22402541

CCCC1(CCC)c2cc(-c3cccs3)ccc2-c2ccc(-c3ccc(C=O)c4nsnc34)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.42
▸ PDK2 Q15119 1/20 0.39
▸ PGR P06401 1/20 0.32
▸ SLC6A11 P48066 1/20 0.32
▸ HDAC3 O15379 4/20 0.31
▸ HDAC1 Q13547 4/20 0.31
▸ HDAC2 Q92769 4/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ TNFRSF1A P19438 3/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL22402552 0.87 PDK2 (0.32) PDK2PGR
SCHEMBL22402526 0.85 PDK2 (0.37) ERN1PDK2
SCHEMBL22402558 0.84 — —
SCHEMBL5266013 0.80 PDK2 (0.51) ERN1PDK2PGRSLC6A11HDAC3
SCHEMBL22402542 0.79 PDK2 (0.32) PDK2
SCHEMBL18812931 0.76 PDK2 (0.56) ERN1PDK2PGRSLC6A11HDAC3
SCHEMBL22402520 0.76 PDK2 (0.37) PDK2PGR
SCHEMBL22402563 0.75 PDK2 (0.36) PDK2PGR
SCHEMBL31111276 0.74 ERN1 (0.41) ERN1
SCHEMBL22402557 0.73 PDK2 (0.31) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039657-A1 DETECTION METHOD UNIV QUEENSLAND (AU) 2023-02-09 — — US disclosed
US-20200284728-A1 DETECTION METHOD THE UNIVERSITY OF QUEENSLAND (AU) 2020-09-10 — — 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 (2 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-20230039657-A1 DETECTION METHOD OPRK1, OPRM1, SIGMAR1 ERN1 1556/4885PDK2 3509/4885PGR 1627/4885
US-20200284728-A1 DETECTION METHOD OPRK1, OPRM1, SIGMAR1 ERN1 1556/4885PDK2 3509/4885PGR 1627/4885

“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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