SCHEMBL2577367

SCHEMBL2577367

CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
ATM Q13315 1/20 0.52
KMT2A Q03164 6/20 0.49
MEN1 O00255 3/20 0.49
STS P08842 1/20 0.48
CCR5 P51681 1/20 0.47
TACR1 P25103 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
ANO1 Q5XXA6 1/20 0.44
USP30 Q70CQ3 1/20 0.43
TET3 O43151 2/20 0.43
FBXL19 Q6PCT2 2/20 0.43
CXXC5 Q7LFL8 2/20 0.43
KDM2B Q8NHM5 2/20 0.43
CXXC4 Q9H2H0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
TET1 Q8NFU7 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL31158334 0.89 TSHR (0.48) TSHRALOX15ATMKMT2AMEN1
SCHEMBL10447211 0.89 TSHR (0.48) TSHRALOX15ATMKMT2AMEN1
SCHEMBL31382358 0.88 TSHR (0.50) TSHRALOX15ATMKMT2AMEN1
SCHEMBL972474 0.86 TSHR (0.65) TSHRALOX15ATMKMT2ACCR5
SCHEMBL28029029 0.86 TSHR (0.52) TSHRALOX15ATMKMT2AMEN1
SCHEMBL31694033 0.86 TSHR (0.52) TSHRALOX15ATMKMT2AMEN1
SCHEMBL704139 0.85 OPRM1 (0.50) TSHRALOX15ATMCCR5OPRD1
SCHEMBL3028439 0.85 STS (0.50) TSHRALOX15ATMKMT2AMEN1
SCHEMBL29892887 0.85 STS (0.50) TSHRALOX15ATMKMT2AMEN1
SCHEMBL654813 0.85 KMT2A (0.59) TSHRALOX15ATMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 US disclosed
CN-101516891-B Dihydrothieno pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC 2013-06-05 CN disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 US disclosed
EP-2054418-B1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-11-09 EP disclosed
CN-101516891-A Dihydrothieno pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2009-08-26 CN disclosed
EP-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 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 (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-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA TSHR 3756/4885ALOX15 3962/4885ATM 489/4885

“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.