Sugi Predict

Sugi Predict / Compounds / SCHEMBL12378079

SCHEMBL12378079

SCHEMBL12378079

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccccc1)C2)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 1/20 0.39
▸ IDH1 O75874 1/20 0.38
▸ KDM4E B2RXH2 7/20 0.37
▸ ALOX15 P16050 4/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ USP2 O75604 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ L3MBTL1 Q9Y468 5/20 0.36
▸ MITF O75030 3/20 0.36

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
SCHEMBL4752157 0.94 CTSB (0.40) DHPSKDM4EALOX15NPSR1TP53
SCHEMBL12378216 0.94 COMT (0.35) KDM4EALOX15NPSR1TP53RAB9A
SCHEMBL5650719 0.93 MAPT (0.38) KDM4ENPSR1TP53RAB9AKMT2A
SCHEMBL4689848 0.92 COMT (0.38) KDM4EALOX15NPSR1TP53RAB9A
SCHEMBL14573665 0.92 ALDH1A1 (0.41) DHPSKDM4ETP53KMT2AMEN1
SCHEMBL4652222 0.92 KDM4E (0.39) KDM4ENPSR1TP53RAB9AKMT2A
SCHEMBL4750446 0.91 TP53 (0.39) KDM4ENPSR1TP53RAB9AKMT2A
SCHEMBL14265282 0.91 COMT (0.33) DHPSKDM4EALOX15NPSR1TP53
SCHEMBL4693777 0.90 POLB (0.36) KDM4EALOX15NPSR1TP53RAB9A
SCHEMBL4693347 0.89 COMT (0.38) KDM4EALOX15NPSR1TP53RAB9A

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 7 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 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-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
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 — — US 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS DHPS 302/4885IDH1 104/4885KDM4E 1723/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS DHPS 329/4885IDH1 110/4885KDM4E 1971/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI DHPS 310/4885IDH1 54/4885KDM4E 960/4885

“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.