SCHEMBL771529

SCHEMBL771529

[CH2]CN1CCN(S(=O)(=O)CC)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 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
SCHEMBL7529444 0.84 KDM4E (0.39) POLBL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL28242652 0.82
SCHEMBL24997068 0.82 POLB (0.52) NPSR1POLBL3MBTL1KDM4EHSD17B10
SCHEMBL8341632 0.82 POLB (0.52) NPSR1POLBL3MBTL1KDM4EHSD17B10
SCHEMBL477208 0.81 TDP1 (0.41) NPSR1KDM4EKMT2AALDH1A1TSHR
SCHEMBL8442784 0.80 KMT2A (0.51) NPSR1POLBL3MBTL1KDM4EHSD17B10
SCHEMBL10263618 0.76 MEN1 (0.47) NPSR1POLBL3MBTL1KDM4EKMT2A
SCHEMBL1648136 0.75 POLB (0.48) NPSR1POLBL3MBTL1KDM4EHSD17B10
SCHEMBL772416 0.74 GAA (0.38) NPSR1POLBKDM4EKMT2AALDH1A1
SCHEMBL10436830 0.73 ALDH1A1 (0.51) NPSR1POLBL3MBTL1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US claimed
EP-2066670-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-10 EP claimed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US claimed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 WO claimed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
EP-2066670-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-10 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 (4 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 NPSR1 3973/4885POLB 77/4885L3MBTL1 4435/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NPSR1 3973/4885POLB 77/4885L3MBTL1 4435/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS NPSR1 4786/4885POLB 12/4885L3MBTL1 220/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI NPSR1 4780/4885POLB 7/4885L3MBTL1 628/4885

“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.