SCHEMBL12606830

SCHEMBL12606830

CCCCOC(=O)N[C@H](CO)COC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EPHX1 P07099 1/20 0.43
CASP1 P29466 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 13/20 0.42
ALDH1A1 P00352 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
SCHEMBL10724239 0.90 EPHX1 (0.48) NPC1RAB9AEPHX1HPGDSMN1; SMN2
SCHEMBL12606810 0.87 EPHX1 (0.41) EPHX1SMN1; SMN2ACHE
SCHEMBL12640901 0.85 NPC1 (0.42) NPC1RAB9AEPHX1CASP1HPGD
SCHEMBL8322165 0.85 EPHX1 (0.44) NPC1RAB9AEPHX1HPGDSMN1; SMN2
SCHEMBL9359582 0.82 ACHE (0.45) NPC1RAB9AEPHX1HPGDSMN1; SMN2
SCHEMBL17224252 0.82 ACHE (0.47) NPC1RAB9AEPHX1HPGDSMN1; SMN2
SCHEMBL19145239 0.82 EPHX1 (0.42) NPC1RAB9AEPHX1HPGDSMN1; SMN2
SCHEMBL17175563 0.81 EPHX1 (0.39) NPC1RAB9AEPHX1SMN1; SMN2ACHE
SCHEMBL15854874 0.80 EPHX1 (0.56) EPHX1ACHE
SCHEMBL16751335 0.80 PCNA (0.38) RAB9AHPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-23 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-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN NPC1 4614/4885RAB9A 1084/4885EPHX1 1647/4885

“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.