SCHEMBL5236366

SCHEMBL5236366

CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)C)c(=O)c2ccc(-c3nc(C(=O)OCC)cs3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
SREBF2 Q12772 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
CLK1 P49759 1/20 0.37
GAA P10253 1/20 0.37
TGFBR1 P36897 3/20 0.35
DPP4 P27487 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
HPGDS O60760 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
CDK5 Q00535 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
SCHEMBL5231544 0.92 SREBF2 (0.39) SREBF2TGFBR1DPP4HPGDSHDAC3
SCHEMBL5232834 0.88 CDC7 (0.37) SREBF2DPP4MAPTHDAC6PDPK1
SCHEMBL5238625 0.87 DPP4 (0.41) ABCB1DPP4HPGDS
SCHEMBL299730 0.86 DPP4 (0.44) RAB9ANPC1CLK1GAADPP4
SCHEMBL5321491 0.86 RAB9A (0.34) RAB9ANPC1CLK1GAATGFBR1
Hydrochloric Acid SCHEMBL5235399 0.85 DPP4 (0.43) RAB9ANPC1CLK1GAADPP4
SCHEMBL5234421 0.83 DPP4 (0.39) DPP4
SCHEMBL5231027 0.83 TARBP2 (0.42) RAB9AGAADPP4HDAC6SMN1; SMN2
SCHEMBL5236356 0.81 TGFBR1 (0.41) TGFBR1DPP4
SCHEMBL6112299 0.79 RAB9A (0.33) RAB9ANPC1CLK1GAADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
CN-1500080-A Fused heterocyclic compounds ����ҩƷ��ҵ��ʽ���� 2004-05-26 CN disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 ABCB1 2095/4885SREBF2 3309/4885RAB9A 3400/4885

“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.