SCHEMBL5776433

SCHEMBL5776433

CCOC(=O)c1cnoc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TEAD2 Q15562 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPA Q15257 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX5 P09917 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GCGR P47871 1/20 0.40
FTO Q9C0B1 1/20 0.40
POLB P06746 3/20 0.40

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
SCHEMBL5775535 0.91 CYP4F2 (0.42) SMN1; SMN2KDM4EALDH1A1HPGDTEAD2
SCHEMBL5772630 0.89 ALOX5 (0.51) SMN1; SMN2KDM4EALDH1A1HPGDTEAD2
SCHEMBL5777151 0.89 USP2 (0.44) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL5775425 0.86 CYP4F2 (0.45) SMN1; SMN2KDM4EALDH1A1HPGDTEAD2
SCHEMBL5770501 0.86 USP2 (0.40) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL10668171 0.85 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL5774156 0.83 CYP4F2 (0.45) SMN1; SMN2KDM4EALDH1A1HPGDTEAD2
SCHEMBL5775490 0.83 ALOX5 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDALOX5
SCHEMBL5770551 0.82 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL11384351 0.82 ALDH1A1 (0.48) SMN1; SMN2KDM4EALDH1A1HPGDNPC1

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 SMN1; SMN2 3383/4885KDM4E 3953/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SMN1; SMN2 2449/4885KDM4E 3347/4885ALDH1A1 682/4885

“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.