SCHEMBL5777151

SCHEMBL5777151

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
JMJD6 Q6NYC1 1/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.38

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 0.89 CYP4F2 (0.42) USP2POLBNPC1L3MBTL1MEN1
SCHEMBL5770501 0.89 USP2 (0.40) USP2POLBNPC1L3MBTL1MEN1
SCHEMBL5776433 0.89 SMN1; SMN2 (0.44) USP2POLBNPC1L3MBTL1MEN1
SCHEMBL11384351 0.85 ALDH1A1 (0.48) NPC1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL10668171 0.83 SMN1; SMN2 (0.52) POLBNPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL343836 0.83 HTT (0.50) NPC1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5773388 0.82 TARBP2 (0.48) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL5775425 0.82 CYP4F2 (0.45) POLBNPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5772630 0.82 ALOX5 (0.51) POLBNPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL20028542 0.81 KDM4E (0.41) NPC1L3MBTL1MEN1KMT2AATM

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 USP2 3981/4885POLB 3996/4885NPC1 2417/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 USP2 3792/4885POLB 3909/4885NPC1 1770/4885

“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.