Sugi Predict

Sugi Predict / Compounds / SCHEMBL14269

SCHEMBL14269

SCHEMBL14269

O=C(Nc1nc(=O)c(CC(=O)N2CCNCC2)c[nH]1)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 4/20 0.41
▸ IDH2 P48735 1/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ SLC6A3 Q01959 1/20 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
SCHEMBL17486588 0.89 POLB (0.39) EPHX2POLBP2RY1
SCHEMBL14268 0.86 SIGMAR1 (0.37) EPHX2POLBNTRK1
SCHEMBL13689 0.86 CXCR2 (0.41) CXCR2IDH2EPHX2POLBNTRK1
SCHEMBL13798 0.86 EPHX2 (0.37) CXCR2EPHX2POLBP2RY1
SCHEMBL14850225 0.86 EPHX2 (0.37) CXCR2IDH2EPHX2POLB
SCHEMBL17354275 0.84 CCNC (0.42) EPHX2
SCHEMBL13857 0.83 ALDH1A1 (0.38) EPHX2CYP2D6
SCHEMBL13684 0.81 EGFR (0.36) CXCR2EPHX2
SCHEMBL17485862 0.81 EGFR (0.36) CXCR2EPHX2
SCHEMBL14191 0.77 GAA (0.36) CXCR2EPHX2POLBNTRK1GBA1

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
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 — — 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CXCR2 2105/4885IDH2 3459/4885EPHX2 3041/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CXCR2 2105/4885IDH2 3459/4885EPHX2 3041/4885

“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.