SCHEMBL2108950

SCHEMBL2108950

CC1[C@H](O)OC(=O)N1c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.47
MRGPRX4 Q96LA9 4/20 0.40
ERN1 O75460 1/20 0.39
FFAR1 O14842 2/20 0.38
PPARD Q03181 1/20 0.38
KDM1A O60341 2/20 0.37
S1PR1 P21453 1/20 0.37
LRRK2 Q5S007 1/20 0.37
GRM2 Q14416 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
ACP1 P24666 1/20 0.36
PTGER1 P34995 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SMPD1 P17405 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6052736 0.77 KDM1A (0.40) S1PR5MRGPRX4KDM1AGRM2ALDH1A1
SCHEMBL18202919 0.77 GRM2 (0.49) S1PR5KDM1ALRRK2GRM2
SCHEMBL9611100 0.73 GRM2 (0.49) S1PR5GRM2
SCHEMBL541806 0.73 CALML3 (0.59) S1PR5GRM2
SCHEMBL541807 0.73 CALML3 (0.59) S1PR5GRM2
SCHEMBL9613257 0.73 NAAA (0.45) S1PR5MRGPRX4GRM2
SCHEMBL17769261 0.71 GRM2 (0.47) S1PR5GRM2
SCHEMBL17769259 0.71 GRM2 (0.47) S1PR5GRM2
SCHEMBL2837784 0.71 GRM2 (0.47) S1PR5GRM2
SCHEMBL17769268 0.71 GRM2 (0.47) S1PR5GRM2LMNA

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 5 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-8501774-B2 Oxazolidinone-quinolone hybrid antibiotics Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2013-08-06 US disclosed
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-06-07 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 (3 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 S1PR5 4868/4885MRGPRX4 4019/4885ERN1 3162/4885
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A S1PR5 4868/4885MRGPRX4 4019/4885ERN1 3162/4885
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics OXA1L, TOP1, TOP2A S1PR5 4868/4885MRGPRX4 4019/4885ERN1 3162/4885

“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.