SCHEMBL12378318

SCHEMBL12378318

CS(=O)(=O)N(c1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
COMT P21964 1/20 0.31
CSF1R P07333 1/20 0.30
BTK Q06187 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
SCHEMBL12378256 0.93 PARP1 (0.33) PARP1COMTCSF1R
SCHEMBL12415956 0.91 PARP1 (0.30) PARP1
SCHEMBL12378656 0.89 COMT (0.30) COMT
SCHEMBL12378307 0.84 RIPK3 (0.34) CSF1RBTK
SCHEMBL14265290 0.84
SCHEMBL14384961 0.83 GRM2 (0.34) PARP1CSF1RBTK
SCHEMBL12378262 0.83 GRM2 (0.35) PARP1CSF1R
SCHEMBL12418392 0.83 CSF1R (0.35) PARP1CSF1RBTK
SCHEMBL12418417 0.83 PARP1 (0.38) PARP1CSF1RBTK
SCHEMBL12378620 0.82 PARP1 (0.35) PARP1BTK

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 PARP1 57/4885COMT 719/4885CSF1R 4535/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI PARP1 92/4885COMT 853/4885CSF1R 4248/4885

“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.