SCHEMBL3763772

SCHEMBL3763772

COC(=O)CCc1ccc(N=C=S)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.58
F2RL1 P55085 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
NAAA Q02083 1/20 0.44
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
EPHX2 P34913 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL7363502 0.86 CYP3A4 (0.50) F2RL1ADRB2ADRB1CYP4Z1CYP4F2
SCHEMBL22922181 0.81 CYP4F2 (0.59) F2RL1ADRB2ADRB1CYP4F2CYP4A11
SCHEMBL1094429 0.80 P2RY6 (0.66) P2RY6HSD17B10LMNA
SCHEMBL7603799 0.79 P2RY6 (0.63) P2RY6NAAAHSD17B10
SCHEMBL7686608 0.79 P2RY6 (0.63) P2RY6NAAAHSD17B10ALDH1A1LMNA
SCHEMBL8879639 0.76 CYP4F2 (0.50) F2RL1ADRB2ADRB1CYP4F2CYP4A11
SCHEMBL1445627 0.76 F2RL1 (0.73) F2RL1ALDH1A1LMNAMAPTHTT
SCHEMBL14364375 0.76 PTGS2 (0.50) HSD17B10ALDH1A1LMNAMAPTKMT2A
SCHEMBL9547715 0.75 P2RY6 (1.00) P2RY6HSD17B10
SCHEMBL1853024 0.75 P2RY6 (1.00) P2RY6HSD17B10

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-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
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 P2RY6 825/4885F2RL1 317/4885ADRB2 462/4885

“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.