SCHEMBL3765043

SCHEMBL3765043

CCOC(=O)Cc1ccc(N=C=S)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.57
P2RY6 Q15077 1/20 0.49
MAPT P10636 2/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TBXAS1 P24557 1/20 0.42
LIPE Q05469 1/20 0.42
OPRD1 P41143 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
SLC22A2 O15244 1/20 0.39
TMPRSS2 O15393 1/20 0.39

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
SCHEMBL1124189 0.86 CYP4Z1 (0.58) CYP4Z1MAPTLMNASMN1; SMN2TBXAS1
SCHEMBL3422000 0.84 P2RY6 (0.49) CYP4Z1P2RY6OPRD1HSD17B10ALDH1A1
SCHEMBL11665205 0.82 OPRD1 (0.47) CYP4Z1P2RY6MAPTSMN1; SMN2OPRD1
SCHEMBL68851 0.81 CYP4Z1 (0.62) CYP4Z1MAPTLMNASMN1; SMN2TBXAS1
SCHEMBL12062874 0.80 CYP4Z1 (0.63) CYP4Z1MAPTLMNASMN1; SMN2TBXAS1
SCHEMBL1457515 0.78 MAPT (0.56) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6546539 0.77 HSD17B10 (0.38) CYP4Z1P2RY6MAPTSMN1; SMN2OPRD1
SCHEMBL1457228 0.76 P2RY6 (0.59) P2RY6MAPTLMNAOPRD1HSD17B10
SCHEMBL12479966 0.76 CYP4Z1 (0.58) CYP4Z1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12479970 0.76 CYP4Z1 (0.58) CYP4Z1MAPTSMN1; SMN2MEN1KMT2A

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 CYP4Z1 4499/4885P2RY6 825/4885MAPT 4088/4885

“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.