SCHEMBL2088230

SCHEMBL2088230

CC(C)(C)OC(=O)C(N)C1CN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 8/20 0.43
▸ S1PR1 P21453 4/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ FUCA1 P04066 2/20 0.38
▸ RORC P51449 1/20 0.38
▸ ACE P12821 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
SCHEMBL2866464 1.00 S1PR5 (0.43) S1PR5S1PR1LTA4HALDH1A1KMT2A
SCHEMBL4640541 0.92 S1PR5 (0.44) S1PR5S1PR1LTA4HKMT2AL3MBTL1
SCHEMBL4640533 0.92 S1PR5 (0.44) S1PR5S1PR1LTA4HKMT2AL3MBTL1
SCHEMBL4640527 0.92 S1PR5 (0.44) S1PR5S1PR1LTA4HKMT2AL3MBTL1
SCHEMBL7387452 0.78 GPR119 (0.47) —
SCHEMBL7390364 0.78 GPR119 (0.49) KMT2A
Hydrochloric Acid SCHEMBL9990500 0.76 S1PR5 (0.51) S1PR5S1PR1ALDH1A1KMT2AFUCA1
Hydrochloric Acid SCHEMBL9990502 0.76 S1PR5 (0.51) S1PR5S1PR1ALDH1A1KMT2AFUCA1
Hydrochloric Acid SCHEMBL9990504 0.76 S1PR5 (0.51) S1PR5S1PR1ALDH1A1KMT2AFUCA1
SCHEMBL7499205 0.76 DRD4 (0.44) LTA4H

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-8329908-B2 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-12-11 — — US disclosed
US-20110059946-A1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2011-03-10 — — US disclosed
US-7820823-B2 Dual action antibiotics Morphochem Aktiengesellschaft Fur Kominatorische Chemi (DE) 2010-10-26 — — US disclosed
US-20050096343-A1 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-05-05 — — US disclosed
EP-1432705-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-06-30 — — EP disclosed
WO-2003032962-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-24 — — WO disclosed
WO-2003031441-A1 MULTIPLE ACTION COMPOUNDS MORPHOCHEN AKTIENGESELLSCHAFT FÜR KOMBINATORISCHE CHEMIE (DE) 2003-04-17 — — WO disclosed
WO-2003031443-A1 DUAL ACTIONS ANTIBIOTICS COMPRISING A OXAZOLDINONE AND A QUINOLONE OR NAPHTHYRIDINONE MOIETY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-17 — — 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-20050096343-A1 Dual action antibiotics SLC11A2, MRPL21, MAP2K5 S1PR5 4720/4885S1PR1 4751/4885LTA4H 2847/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 S1PR5 4765/4885S1PR1 4787/4885LTA4H 2922/4885

“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.

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