Sugi Predict

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SCHEMBL20602000

SCHEMBL20602000

CC(C)C1CC(=O)c2[nH]c3ccc(Cl)c(Cl)c3c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.38
▸ PARP1 P09874 2/20 0.36
▸ TNKS2 Q9H2K2 2/20 0.36
▸ PARP2 Q9UGN5 2/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ MET P08581 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20602071 0.76 AR (0.42) ARPARP1TNKS2PARP2LMNA
SCHEMBL20601988 0.76 KDM4E (0.36) ARBRD4GRIN2DGRIN3BGRIN1
SCHEMBL14688216 0.74 KDM4E (0.46) ARPARP1GRIN2DGRIN3BGRIN1
SCHEMBL20601999 0.73 AR (0.36) AR
SCHEMBL2359337 0.72 KDM4E (0.56) ARPARP1BRD4GRIN2DGRIN3B
SCHEMBL22529407 0.72 KDM4E (0.52) ARBRD4GRIN2DGRIN3BGRIN1
SCHEMBL20602026 0.71 LMNA (0.56) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL12440714 0.68 AR (0.47) ARPARP1GRIN2DGRIN3BGRIN1
SCHEMBL2359992 0.68 AR (0.42) ARPARP1GRIN2DGRIN3BGRIN1
SCHEMBL12441595 0.65 AR (0.44) ARPARP1PARP2GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 — — US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 — — US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 — — US disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 — — WO disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 — — WO 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-11458121-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC10A1, SLC47A1 AR 4631/4885PARP1 4761/4885TNKS2 4696/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 AR 4631/4885PARP1 4761/4885TNKS2 4696/4885

“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.