SCHEMBL5111999

SCHEMBL5111999

CCOC(=O)c1nc(C(C)C)sc1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SLC5A1 P13866 1/20 0.42
▸ SLC5A2 P31639 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ GABRA2 P47869 5/20 0.41
▸ GABRB2 P47870 5/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ COPS5 Q92905 1/20 0.39

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
SCHEMBL5121201 0.81 CYP3A4 (0.39) MAPTKDM4ECYP3A4CYP2C9PDE3B
SCHEMBL1918799 0.74 MAPT (0.53) MAPTKDM4ECYP3A4CYP2C9PDE3B
SCHEMBL5112558 0.74 TBXA2R (0.49) MAPTKDM4EGAALMNAMAPK1
SCHEMBL14109406 0.73 MAPT (0.57) MAPTKDM4EPDE3BPDE3AGAA
SCHEMBL5113575 0.72 SMN1; SMN2 (0.37) MAPTCYP3A4CYP2C9PDE3ALMNA
SCHEMBL5105598 0.70 CYP2C9 (0.45) MAPTKDM4ECYP3A4CYP2C9PDE3B
SCHEMBL28979284 0.70 GAA (0.52) MAPTKDM4ECYP2C9GAANPC1
SCHEMBL3210282 0.70 NPC1 (0.51) KDM4ECYP3A4CYP2C9PDE3BPDE3A
SCHEMBL7041804 0.69 ALOX15 (0.47) MAPTKDM4ECYP3A4CYP2C9PDE3B
SCHEMBL29660779 0.69 ALDH1A1 (0.62) MAPTKDM4EGAACDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 — — US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 — — EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 MAPT 4642/4885KDM4E 1854/4885CYP3A4 449/4885

“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.

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