SCHEMBL506041

SCHEMBL506041

CC(C1CC1)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.36
LIPG Q9Y5X9 11/20 0.36
BACE1 P56817 5/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ESR2 Q92731 1/20 0.34
FFAR1 O14842 1/20 0.32

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
SCHEMBL505914 0.83 LPL (0.41) LPLLIPGBACE1CA1CA2
SCHEMBL12492834 0.79 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL2640706 0.78 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL506825 0.77 LPL (0.39) LPLLIPGBACE1CA1CA2
SCHEMBL506070 0.77 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL506413 0.77 ESR2 (0.43) LPLLIPGBACE1CA1CA2
SCHEMBL22655335 0.76 LIPG (0.43) LPLLIPGCA1CA2CA9
SCHEMBL505949 0.76 LPL (0.36) LPLLIPGBACE1CA1CA2
SCHEMBL506126 0.75 LPL (0.36) LPLLIPGBACE1CA1CA2
SCHEMBL16465375 0.74 LPL (0.39) LPLLIPGBACE1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906539-B1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES HIVIH (FR) 2017-06-21 EP disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9475802-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-10-25 US disclosed
US-20150274718-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses LABORATOIRE BIODIM (FR) 2015-10-01 US disclosed
EP-2906539-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2015-08-19 EP disclosed
WO-2014057103-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-04-17 WO disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 EP disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 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-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 LPL 4640/4885LIPG 3962/4885BACE1 2846/4885
US-20150274718-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses RPL35, EIF2AK2, MAVS LPL 3506/4885LIPG 1728/4885BACE1 1650/4885

“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.