SCHEMBL12378082

SCHEMBL12378082

CN(c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)S(=O)(=O)CCl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.34
PTGER4 P35408 10/20 0.33
CACNA2D1 P54289 1/20 0.32
MAPK1 P28482 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
KAT2B Q92831 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL14573781 0.94 PTGER4 (0.33) IDH1PTGER4CACNA2D1MAPK1KAT2B
SCHEMBL14573777 0.92 IDH1 (0.34) IDH1PTGER4CACNA2D1MAPK1LMNA
SCHEMBL14573778 0.92 IDH1 (0.34) IDH1PTGER4CACNA2D1MAPK1LMNA
SCHEMBL14573780 0.91 TDP1 (0.33) IDH1PTGER4CACNA2D1KAT2B
SCHEMBL14607607 0.91 IDH1 (0.32) IDH1PTGER4CACNA2D1KAT2B
SCHEMBL14607606 0.91 IDH1 (0.32) IDH1PTGER4CACNA2D1KAT2B
SCHEMBL12378101 0.90 IDH1 (0.33) IDH1PTGER4CACNA2D1MAPK1LMNA
SCHEMBL12378100 0.90 PTGDR2 (0.32) IDH1PTGER4CACNA2D1
SCHEMBL12378113 0.89 TP53 (0.35) IDH1PTGER4CACNA2D1SMN1; SMN2L3MBTL1
SCHEMBL12378107 0.89 KEAP1 (0.34) IDH1PTGER4LMNASMN1; SMN2L3MBTL1

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
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 (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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS IDH1 110/4885PTGER4 3944/4885CACNA2D1 3496/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI IDH1 54/4885PTGER4 3587/4885CACNA2D1 3068/4885

“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.