SCHEMBL2860633

SCHEMBL2860633

O=C(O)CCCCN(C(=O)Oc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 7/20 0.38
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
CA2 P00918 6/20 0.33
CA1 P00915 5/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CA4 P22748 2/20 0.32
PPARD Q03181 2/20 0.32

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
SCHEMBL2864220 0.89 PPARD (0.40) TMPRSS15POLBTDP1MAPTCA2
SCHEMBL2868103 0.89 PPARA (0.40) TMPRSS15MAPTPPARD
SCHEMBL2857711 0.87 TMPRSS15 (0.38) TMPRSS15PPARD
SCHEMBL2868489 0.86 CA2 (0.42) TMPRSS15CA2CA1CA4
SCHEMBL2870349 0.85 TMPRSS15 (0.37) TMPRSS15CA2CA1CA4PPARD
SCHEMBL2865978 0.84 TMPRSS15 (0.36) TMPRSS15NPC1MITFPOLBAPEX1
SCHEMBL2865990 0.84 MAPT (0.38) NPC1POLBRAB9AMAPTCA2
SCHEMBL2866937 0.83 TMPRSS15 (0.36) TMPRSS15CA2CA1CA4PPARD
SCHEMBL2863664 0.83 LTB4R (0.36) TMPRSS15NPC1MITFPOLBAPEX1
SCHEMBL2867200 0.82 TMPRSS15 (0.42) TMPRSS15PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 TMPRSS15 959/4885NPC1 833/4885MITF 1358/4885

“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.