SCHEMBL4308790

SCHEMBL4308790

NC(=S)NC(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
KMT2A Q03164 1/20 0.51
GPR34 Q9UPC5 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.46
MMP2 P08253 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
IDO1 P14902 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NHERF1 O14745 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
PYGL P06737 1/20 0.44
CA1 P00915 1/20 0.44
MME P08473 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL6847701 0.87 CA2 (0.59) CA2KMT2AGPR34ADAMTS5MMP2
SCHEMBL12678088 0.85 MME (0.59) CA2ALDH1A1CA1MMEFPR2
SCHEMBL19328341 0.84 FPR2 (0.56) CA2CA1MMEFPR2
SCHEMBL3451686 0.82 FPR2 (0.49) KMT2AGPR34PYGLFPR2
SCHEMBL3451680 0.82 FPR2 (0.49) KMT2AGPR34PYGLFPR2
SCHEMBL5994613 0.81 LMNA (0.63) CA2KMT2AGPR34ADAMTS5MMP2
SCHEMBL7773682 0.81 LMNA (0.63) CA2KMT2AGPR34ADAMTS5MMP2
SCHEMBL7773675 0.81 LMNA (0.63) CA2KMT2AGPR34ADAMTS5MMP2
SCHEMBL29511612 0.81 KMT2A (0.54) CA2KMT2AGPR34PRSS1PRSS2
SCHEMBL27699871 0.80 CA2 (0.54) CA2KMT2AGPR34ADAMTS5MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-12-13 US disclosed
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-12-13 US disclosed
US-8273778-B2 Inhibitors of UDP-galactopyranose mutase thwart mycobacterial growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-25 US disclosed
US-8273778-B2 Inhibitors of UDP-galactopyranose mutase thwart mycobacterial growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-25 US disclosed
US-20100056586-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-03-04 US disclosed
US-20100056586-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-03-04 US disclosed
WO-2009132310-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-10-29 WO disclosed
WO-2009132310-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-10-29 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 (2 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-20100056586-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH UGDH, UGGT1, UMPS CA2 4600/4885KMT2A 3592/4885GPR34 3866/4885
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH UGDH, UGGT1, UMPS CA2 4600/4885KMT2A 3592/4885GPR34 3866/4885

“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.