SCHEMBL4397425

SCHEMBL4397425

CC(=O)c1ccc(C(=O)CNC(C)CO)cc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.41
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
HSD17B1 P14061 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL4391321 0.78 HPGD (0.50) DPP4
SCHEMBL4398281 0.77 PTPN1 (0.51) DPP4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4398994 0.76 KDM4E (0.47) DPP4NPC1RAB9A
SCHEMBL4393587 0.75 KDM4E (0.46) DPP4NPC1RAB9AMAPT
SCHEMBL4398285 0.73 ERCC5 (0.51) DPP4NPC1RAB9ASMN1; SMN2
SCHEMBL4395904 0.73 ALOX5 (0.53) ALOX15ALOX12RAB9AMAPTSMN1; SMN2
SCHEMBL4403096 0.73 CA12 (0.41) DPP4
SCHEMBL4625290 0.72 ADRB1 (0.46) ALOX15MAPTSMN1; SMN2
SCHEMBL4398906 0.71 ADRB2 (0.48) DPP4
SCHEMBL4393400 0.71 GSK3B (0.51) ALOX12NPC1RAB9ASMN1; SMN2PKM

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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2012-08-30 US disclosed
US-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 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 (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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, HRH2 DPP4 4429/4885ALOX15 118/4885ALOX12 44/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 DPP4 4035/4885ALOX15 220/4885ALOX12 68/4885

“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.