SCHEMBL2292289

SCHEMBL2292289

CS(=O)(=O)Nc1[c]ccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KEAP1 Q14145 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
KIF11 P52732 3/20 0.33

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
SCHEMBL195978 0.78 KIF11 (0.42) NR3C1PGRNR3C2ARPTGS1
SCHEMBL2035839 0.77 KIF11 (0.47) SLC22A12NR3C1CA1CA2FFAR4
SCHEMBL4599434 0.74
SCHEMBL28044532 0.71 SLC6A4 (0.36) NR3C1NR3C2CA2ALDH1A1SMN1; SMN2
SCHEMBL97872 0.71 KEAP1 (0.48) NR3C1PGRNR3C2ARPTGS2
SCHEMBL1116610 0.71 PTGS2 (0.38) PTGS1PTGS2
SCHEMBL4328076 0.70 DYRK1A (0.43) CA1CA2CA9DYRK1AALDH1A1
SCHEMBL2896327 0.70 ALDH1A1 (0.45) NR3C1NR3C2KEAP1CA12CA1
SCHEMBL4600055 0.69 POLB (0.31)
SCHEMBL4599574 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2066670-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-10 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

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 MAP2K4 2299/4885SLC22A12 4082/4885NR3C1 3134/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI MAP2K4 3148/4885SLC22A12 3564/4885NR3C1 2907/4885

“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.