SCHEMBL3763528

SCHEMBL3763528

Cc1cccc2oc(Nc3ccc(CC(=O)O)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
PDE4B Q07343 4/20 0.44
PDE4D Q08499 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IL6 P05231 1/20 0.43
STAT3 P40763 1/20 0.43
CEPT1 Q9Y6K0 1/20 0.41
ELANE P08246 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
AGPAT2 O15120 1/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL13059489 0.90 CEPT1 (0.41) SMN1; SMN2KDM4EGAAIL6STAT3
SCHEMBL8224969 0.89 CEPT1 (0.41) SMN1; SMN2GAAIL6STAT3CEPT1
SCHEMBL22703625 0.88 AGPAT2 (0.41) SMN1; SMN2GAAIL6STAT3CEPT1
SCHEMBL13002100 0.87 CEPT1 (0.39) SMN1; SMN2GAAIL6STAT3CEPT1
SCHEMBL3769922 0.84 NPC1 (0.45) PDE4BPDE4DSMN1; SMN2KDM4EGAA
SCHEMBL2433216 0.82 ITGA4 (0.57) GAAAGPAT2ITGB1ITGA4FBP1
SCHEMBL21776904 0.81 NPC1 (0.58) SMN1; SMN2GAAELANEMEN1TP53
SCHEMBL13058907 0.81 KDM4E (0.54) SMN1; SMN2KDM4EGAACEPT1ELANE
SCHEMBL2438784 0.81 HDAC6 (0.44) PDE4BPDE4DSMN1; SMN2GAAIL6
SCHEMBL19004805 0.81 HDAC6 (0.42) SMN1; SMN2KDM4EIL6STAT3CEPT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US disclosed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US disclosed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US disclosed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 FFAR1 321/4885PDE4B 1851/4885PDE4D 1094/4885

“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.