SCHEMBL17494433

SCHEMBL17494433

COC(=O)c1cc(F)c(Br)c(C=O)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.48
CGAS Q8N884 1/20 0.35
PKM P14618 1/20 0.35
ERN1 O75460 3/20 0.35
CFTR P13569 1/20 0.35
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NR4A2 P43354 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL17494417 0.87 SOS1 (0.47) SOS1CGASPKMCFTRKDM4E
SCHEMBL26119798 0.81 ERN1 (0.42) SOS1PKMERN1KDM4EHSD17B10
SCHEMBL17494244 0.80 SOS1 (0.51) SOS1CGASPKMERN1CFTR
SCHEMBL32669454 0.79 SOS1 (0.50) SOS1CGASPKMCFTRSMN1; SMN2
SCHEMBL17494279 0.79 SOS1 (0.50) SOS1CGASPKMCFTRKDM4E
SCHEMBL17494449 0.77 SOS1 (0.48) SOS1CGASPKMCFTRKDM4E
SCHEMBL19195364 0.77 SOS1 (0.48) SOS1CGASPKMCFTRKDM4E
SCHEMBL17494393 0.76 SOS1 (0.47) SOS1CGASCFTRKDM4EHSD17B10
SCHEMBL31496877 0.74 SOS1 (0.48) SOS1CGASPKMCFTRKDM4E
SCHEMBL23526170 0.73 SOS1 (0.54) SOS1CGASPKMCFTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160726-B2 Quinolone derivatives as antibacterials NOVARTIS AG (CH) 2018-12-25 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
EP-3177593-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS Novartis AG (CH) 2017-06-14 EP disclosed
WO-2016020836-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS NOVARTIS AG (CH) 2016-02-11 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-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A SOS1 2618/4885CGAS 10/4885PKM 2586/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A SOS1 2618/4885CGAS 10/4885PKM 2586/4885

“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.