SCHEMBL2865978

SCHEMBL2865978

O=C(O)CCCCN(C(=O)Oc1ccc(OC(F)(F)CC(F)(F)F)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 7/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
DYRK1A Q13627 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MLYCD O95822 1/20 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
SCHEMBL2868103 0.88 PPARA (0.40) TMPRSS15HDAC3HDAC4HDAC1HDAC7
SCHEMBL2868215 0.88 EPHX2 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2864220 0.85 PPARD (0.40) TMPRSS15POLBTDP1CA2ALDH1A1
SCHEMBL3404320 0.85 TMPRSS15 (0.31) TMPRSS15HDAC3HDAC4HDAC1HDAC7
SCHEMBL2861474 0.84 DYRK1A (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2857234 0.84 MLYCD (0.39) TMPRSS15MLYCD
SCHEMBL2860633 0.84 TMPRSS15 (0.38) TMPRSS15NPC1MITFPOLBAPEX1
SCHEMBL2859562 0.83 MAPT (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2857711 0.82 TMPRSS15 (0.38) TMPRSS15DYRK1APPARD
SCHEMBL2868489 0.82 CA2 (0.42) TMPRSS15CA1CA2CA4

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 959/4885HDAC3 439/4885HDAC4 1331/4885

“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.