SCHEMBL16316767

SCHEMBL16316767

CC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ F2 P00734 1/20 0.43
▸ PREP P48147 3/20 0.43
▸ CTSK P43235 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41

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
SCHEMBL16316793 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2F2PREPCTSK
SCHEMBL15805130 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2F2PREPCTSK
SCHEMBL17015163 0.95 PREP (0.47) ALDH1A1SMN1; SMN2F2PREPCTSK
SCHEMBL29503770 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2PREPKMT2A
SCHEMBL29047047 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2F2PREPKMT2A
SCHEMBL29549607 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2PREPKMT2A
SCHEMBL29378245 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2PREPKMT2A
SCHEMBL29503800 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2PREPKMT2A
SCHEMBL118354 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2PREPKMT2A
SCHEMBL119560 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2F2PREPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — 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 (1 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885SMN1; SMN2 2049/4885F2 1961/4885

“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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