SCHEMBL2548980

SCHEMBL2548980

COC(=O)c1ccc(F)cc1OCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA9 Q16790 6/20 0.51
FFAR4 Q5NUL3 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
DRD2 P14416 3/20 0.44
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
AXL P30530 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN22 Q9Y2R2 1/20 0.41

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
SCHEMBL2551702 0.99 CA12 (0.50) CA12CA1CA2CA9FFAR4
SCHEMBL3161624 0.95 CA12 (0.49) CA12CA1CA2CA9FFAR4
SCHEMBL3156526 0.92 FFAR4 (0.48) CA12CA1CA2CA9FFAR4
SCHEMBL2548372 0.90 CA12 (0.52) CA12CA1CA2CA9TDP1
SCHEMBL3197902 0.86 CA12 (0.54) CA12CA1CA2CA9TDP1
SCHEMBL19975481 0.86 CA12 (0.52) CA12CA1CA2CA9TDP1
SCHEMBL12514969 0.86 CA12 (0.54) CA12CA1CA2CA9TDP1
SCHEMBL20471981 0.85 CA12 (0.50) CA12CA1CA2CA9TDP1
SCHEMBL3156719 0.85 CA12 (0.50) CA12CA1CA2CA9TDP1
SCHEMBL12283382 0.83 CA12 (0.49) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
EP-2552923-A1 MACROCYCLIC INTEGRASE INHIBITORS Janssen R&D Ireland (IE) 2013-02-06 EP disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 WO disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS CA12 4864/4885CA1 4850/4885CA2 4373/4885

“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.