SCHEMBL16414641

SCHEMBL16414641

CCCCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccco1)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ PKM P14618 1/20 0.56
▸ GAA P10253 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NAAA Q02083 2/20 0.47
▸ TSHR P16473 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RCE1 Q9Y256 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HSPA8 P11142 1/20 0.45

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
SCHEMBL15659169 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL15657795 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL15662096 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL15659605 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL15660528 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL15657310 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL9784444 0.81 SMN1; SMN2 (0.84) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL2719119 0.81 SMN1; SMN2 (0.84) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL15999997 0.81 SMN1; SMN2 (0.84) ALDH1A1SMN1; SMN2PKMGAAHDAC3
SCHEMBL15660301 0.81 NAAA (0.63) ALDH1A1HDAC3NAAA

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-20150031892-A1 SPHINGOLIPID METABOLITE MIMETICS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-01-29 — — US claimed
US-20150031892-A1 SPHINGOLIPID METABOLITE MIMETICS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-01-29 — — US disclosed
US-20150031892-A1 SPHINGOLIPID METABOLITE MIMETICS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-01-29 — — 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-20150031892-A1 SPHINGOLIPID METABOLITE MIMETICS BID, BAD, S1PR1 ALDH1A1 2945/4885SMN1; SMN2 900/4885PKM 3322/4885

“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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