SCHEMBL7921079

SCHEMBL7921079

CC(NC(=O)OC(C)(C)C)c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.47
PRCP P42785 6/20 0.42
PTPN1 P18031 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
PPARA Q07869 2/20 0.39
BCHE P06276 1/20 0.39
PPARG P37231 1/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL12798924 0.92 AAK1 (0.48) AAK1PRCPPTPN1L3MBTL1TSHR
SCHEMBL5111381 0.85 AAK1 (0.47) AAK1PRCPL3MBTL1TSHRBCHE
SCHEMBL28586691 0.84 AAK1 (0.46) AAK1PRCPL3MBTL1TSHR
SCHEMBL4154097 0.84 AAK1 (0.46) AAK1PRCPL3MBTL1TSHR
SCHEMBL7927048 0.84 PTPN1 (0.49) AAK1PRCPPTPN1
SCHEMBL15158071 0.83 PRCP (0.48) PRCPL3MBTL1TSHRMAPT
SCHEMBL12432831 0.83 L3MBTL1 (0.46) AAK1PRCPL3MBTL1TSHRBCHE
SCHEMBL1391519 0.82 L3MBTL1 (0.47) AAK1L3MBTL1TSHR
SCHEMBL6304376 0.81 TSHR (0.59) AAK1PTPN1L3MBTL1TSHRBCHE
SCHEMBL8330091 0.81 TSHR (0.59) AAK1PTPN1L3MBTL1TSHRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB AAK1 415/4885PRCP 3140/4885PTPN1 2389/4885

“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.