SCHEMBL2811245

SCHEMBL2811245

COC(=O)c1nn(C(=O)OC(C)(C)C)c2cc(-c3ccc(O)cc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.43
PLAU P00749 6/20 0.43
F2 P00734 5/20 0.43
CTRB1 P17538 3/20 0.41
KLKB1 P03952 1/20 0.36
MAP2K4 P45985 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL24780971 0.83 ELANE (0.53) ELANEPLAUF2CTRB1KLKB1
SCHEMBL21752283 0.78 ELANE (0.43) ELANEPLAUF2CTRB1KLKB1
SCHEMBL1141611 0.78 ELANE (0.41) ELANEPLAUF2CTRB1KLKB1
SCHEMBL3380516 0.77 ELANE (0.53) ELANEPLAUF2CTRB1MAPT
SCHEMBL8739066 0.76 ELANE (0.43) ELANEPLAUF2CTRB1KLKB1
SCHEMBL1141216 0.76 GABRG2 (0.50) ELANEPLAUF2CTRB1KLKB1
SCHEMBL18511974 0.76 ELANE (0.65) ELANEPLAUF2CTRB1KLKB1
SCHEMBL25933322 0.76 PDGFRA (0.45) ELANEPLAUF2MAP2K4
SCHEMBL1141969 0.75 MAP2K4 (0.41) ELANEPLAUF2CTRB1KLKB1
SCHEMBL177019 0.74 HTR6 (0.40) MAP2K4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 ELANE 2785/4885PLAU 3091/4885F2 1449/4885

“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.