SCHEMBL5773258

SCHEMBL5773258

COC(=O)c1ccc(NC(=O)C=Cc2c(C)noc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 6/20 0.45
KDM4E B2RXH2 2/20 0.45
PTPN1 P18031 1/20 0.44
PTGS1 P23219 1/20 0.44
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
EGFR P00533 2/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
GAA P10253 3/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL5773251 1.00 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EPTPN1PTGS1
SCHEMBL5777454 0.81 EGFR (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5777450 0.81 EGFR (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5769132 0.79 EGFR (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5774464 0.76 IP6K1 (0.52) ALDH1A1MAPTKDM4EPTPN1PTGS1
SCHEMBL5774461 0.76 IP6K1 (0.52) ALDH1A1MAPTKDM4EPTPN1PTGS1
SCHEMBL1996368 0.75 MMP1 (0.72) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL1996366 0.75 MMP1 (0.72) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL5771116 0.74 MAPT (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4676910 0.72 IP6K1 (0.58) ALDH1A1MAPTKDM4EPTPN1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR ALDH1A1 1045/4885MAPT 4701/4885KDM4E 3953/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885MAPT 4763/4885KDM4E 3347/4885

“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.