SCHEMBL2107172

SCHEMBL2107172

CC(=O)C(N)[C@@H]1CN(c2ccc(OCC3(OC(=O)C(CCCCNC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
SIRT2 Q8IXJ6 5/20 0.38
SIRT1 Q96EB6 4/20 0.38
SIRT3 Q9NTG7 4/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TGM2 P21980 6/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CPB1 P15086 1/20 0.35
CPB2 Q96IY4 1/20 0.35
FOLH1 Q04609 1/20 0.34

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
Hydrochloric Acid SCHEMBL2108864 0.99 KLK7 (0.37) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL2110237 0.91 KLK7 (0.42) KLK7KLK5CA1CA2TGM2
SCHEMBL2108865 0.89 MAOA (0.41) KLK7KLK5SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL2107171 0.89 MAOA (0.40) KLK7KLK5SIRT2SIRT1SIRT3
SCHEMBL2109811 0.84 HTR6 (0.33)
SCHEMBL2110170 0.80 KLK7 (0.42) KLK7KLK5TGM2
Hydrochloric Acid SCHEMBL2107174 0.79
SCHEMBL2111802 0.76 DPP4 (0.38)
SCHEMBL701776 0.75 SMN1; SMN2 (0.37)
SCHEMBL2109045 0.74 RORC (0.35) DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG FÜR KOMBINATORISCHE CHEMIE (DE) 2015-11-26 US disclosed
US-8158797-B2 Oxazolidinone-quinolone hybrid antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-04-17 US disclosed
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE (DE) 2008-01-31 US 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-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A KLK7 2593/4885KLK5 2089/4885SIRT2 855/4885
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics OXA1L, TOP1, TOP2A KLK7 2593/4885KLK5 2089/4885SIRT2 855/4885

“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.