SCHEMBL344039

SCHEMBL344039

CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
BRS3 P32247 1/20 0.38
METAP2 P50579 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
CFD P00746 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PTGER4 P35408 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KLKB1 P03952 1/20 0.35
CTSB P07858 1/20 0.35
MMP9 P14780 1/20 0.35
DNMT1 P26358 1/20 0.35
DNMT3B Q9UBC3 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
SCHEMBL4714308 0.86 KLKB1 (0.40) BRS3METAP2LMNACFDPTGER4
SCHEMBL344043 0.84 NPSR1 (0.49) NPSR1LMNAMAPTFLT3GRM2
SCHEMBL5004727 0.84 KDM4E (0.44) NPSR1METAP2LMNAMAPTCFD
SCHEMBL1593857 0.83 NPSR1 (0.48) NPSR1LMNAMAPTFLT3GRM2
SCHEMBL342864 0.83 KMT2A (0.46) NPSR1BRS3METAP2LMNAMAPT
SCHEMBL12378245 0.81 NPSR1 (0.46) NPSR1LMNAMAPTFLT3GRM2
SCHEMBL3869518 0.79 NPSR1 (0.43) NPSR1BRS3LMNAMAPTPTGER4
SCHEMBL12378287 0.79 NPSR1 (0.39) NPSR1LMNAMAPTMAPK1FLT3
SCHEMBL12378242 0.79 MAPT (0.48) NPSR1LMNAMAPTMAPK1CASP3
SCHEMBL344041 0.79 KCNQ4 (0.42) NPSR1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 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 (3 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-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPSR1 4462/4885BRS3 4605/4885METAP2 1660/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS NPSR1 4786/4885BRS3 4110/4885METAP2 2604/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI NPSR1 4780/4885BRS3 3496/4885METAP2 3310/4885

“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.