SCHEMBL26451300

SCHEMBL26451300

CC[C@@H]1CN(C(=O)OCc2ccccc2)CC1C(=O)Oc1nc(OC)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ MMP9 P14780 3/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ GRIN2B Q13224 3/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ ADAM9 Q13443 1/20 0.38
▸ CHRM4 P08173 1/20 0.37

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
SCHEMBL26451317 1.00 PDE4B (0.44) PDE4BPIK3CDSMN1; SMN2NPC1RAB9A
SCHEMBL26451281 1.00 PDE4B (0.44) PDE4BPIK3CDSMN1; SMN2NPC1RAB9A
SCHEMBL26452643 0.85 CHRM5 (0.36) PIK3CDCYP2C19GRIN2BCHRM4CYP2C9
SCHEMBL26452546 0.85 CHRM5 (0.36) PIK3CDCYP2C19GRIN2BCHRM4CYP2C9
SCHEMBL26452466 0.85 CHRM5 (0.36) PIK3CDCYP2C19GRIN2BCHRM4CYP2C9
SCHEMBL22519703 0.84 PDE4B (0.54) PDE4BPIK3CDSMN1; SMN2NPC1RAB9A
SCHEMBL18740319 0.82 SMN1; SMN2 (0.49) PDE4BPIK3CDSMN1; SMN2NPC1RAB9A
SCHEMBL14778858 0.81 SMN1; SMN2 (0.56) PDE4BPIK3CDSMN1; SMN2NPC1RAB9A
SCHEMBL22292218 0.81 SMN1; SMN2 (0.56) PDE4BPIK3CDSMN1; SMN2NPC1RAB9A
SCHEMBL18842331 0.81 SMN1; SMN2 (0.56) PDE4BPIK3CDSMN1; SMN2NPC1RAB9A

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-20230139156-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CURIA SPAIN, S.A.U. (ES) 2023-05-04 — — 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-20230139156-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CDK19, CDK11B, CDK9 PDE4B 1354/4885PIK3CD 158/4885SMN1; SMN2 2419/4885

“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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