SCHEMBL3351322

SCHEMBL3351322

N=C(N)NCCCC[C@H](O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 1/20 0.46
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TET2 Q6N021 3/20 0.38
KDM4A O75164 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
TET3 O43151 1/20 0.38
TBXAS1 P24557 2/20 0.34
ALB P02768 1/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
FOLH1 Q04609 1/20 0.33
OTC P00480 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL25329849 0.98 GPR84 (0.48) GPR84FFAR1ALOX15MEN1CYP1A2
SCHEMBL11229239 0.94 GPR84 (0.42) GPR84FFAR1ALOX15MEN1CYP1A2
SCHEMBL3351368 0.94 GPR84 (0.42) GPR84FFAR1ALOX15MEN1CYP1A2
SCHEMBL28586986 0.94 GPR84 (0.42) GPR84FFAR1ALOX15MEN1CYP1A2
SCHEMBL3230889 0.86 TET2 (0.41) GPR84FFAR1ALOX15MEN1CYP1A2
SCHEMBL11043735 0.85 SMN1; SMN2 (0.46) GPR84FFAR1ALOX15MEN1CYP1A2
SCHEMBL11240271 0.85 GPR84 (0.48) GPR84FFAR1SMN1; SMN2TET2KDM4A
SCHEMBL880728 0.81 GSR (0.52) ALOX15CYP1A2KMT2AOTC
SCHEMBL15233306 0.81 ALOX15 (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10071054 0.81 GSR (0.52) ALOX15CYP1A2KMT2AOTC

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-8883720-B2 Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-11-11 US disclosed
US-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2011-12-22 US disclosed
WO-2010060479-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-06-03 WO 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-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY CXCL12, CXCR4, CXCR1 GPR84 112/4885FFAR1 474/4885ALOX15 4479/4885

“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.