SCHEMBL2185855

SCHEMBL2185855

CS(=O)(=O)Nc1cc(F)ccc1CN

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.42
SLC22A12 Q96S37 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 5/20 0.39
ADRB3 P13945 3/20 0.39
PTGS1 P23219 3/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAP2K4 P45985 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL17553899 0.86 MAPT (0.44) NR3C1SLC22A12ALDH1A1PTGS2ADRB3
Hydrochloric Acid SCHEMBL1013955 0.85 PTGS2 (0.40) NR3C1SLC22A12ALDH1A1PTGS2ADRB3
SCHEMBL13924960 0.85 PSIP1 (0.47) ALDH1A1
Hydrochloric Acid SCHEMBL4035374 0.84 PSIP1 (0.46) ALDH1A1
SCHEMBL12409787 0.81 NR3C1 (0.41) NR3C1ALDH1A1PTGS2ADRB3PTGS1
SCHEMBL3302714 0.80 NR3C1 (0.40) NR3C1SLC22A12ALDH1A1PTGS2ADRB3
SCHEMBL3302717 0.78 NR3C1 (0.39) NR3C1SLC22A12ALDH1A1PTGS2ADRB3
SCHEMBL1659580 0.78 KEAP1 (0.40) NR3C1SLC22A12ADRB3ADRA2CADRA1A
SCHEMBL29115082 0.77 HDAC1 (0.43) NR3C1SLC22A12ALDH1A1PTGS2PTGS1
SCHEMBL12843995 0.77 AOC1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852434-B1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY SHIONOGI & CO (JP) 2011-07-13 EP disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 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 (1 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 NR3C1 52/4885SLC22A12 2924/4885ALDH1A1 2496/4885

“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.