SCHEMBL3769313

SCHEMBL3769313

COC(=O)C(C)c1ccc(N=C=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MT-CO2 P00403 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ P2RY6 Q15077 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MIF P14174 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CXCR1 P25024 1/20 0.35
▸ CXCR2 P25025 1/20 0.35

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
SCHEMBL7603796 0.80 HSD17B10 (0.41) HSD17B10PTGS2P2RY6CA1CA2
SCHEMBL464579 0.80 HPGD (0.48) HPGDHSD17B10MT-CO2PTGS1PTGS2
SCHEMBL14308725 0.77 PTGS2 (0.65) PTGS1PTGS2ESR1CXCR1CXCR2
SCHEMBL14307501 0.76 ELANE (0.57) PTGS1PTGS2KMT2A
SCHEMBL2886630 0.76 TDP1 (0.59) PTGS1PTGS2TDP1L3MBTL1
SCHEMBL4007061 0.75 MEN1 (0.54) HPGDPTGS1PTGS2CA1CA2
SCHEMBL12896284 0.75 HPGD (0.53) HPGDMT-CO2PTGS1PTGS2L3MBTL1
SCHEMBL11130803 0.75 HPGD (0.53) HPGDMT-CO2PTGS1PTGS2L3MBTL1
SCHEMBL14402158 0.74 HPGD (0.49) HPGDMT-CO2PTGS1PTGS2TDP1
SCHEMBL11014337 0.73 ALOX15 (0.49) HPGDMT-CO2PTGS1PTGS2TDP1

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 HPGD 2864/4885HSD17B10 4762/4885MT-CO2 4885/4885

“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.

Send feedback