SCHEMBL5773089

SCHEMBL5773089

CCOC(=O)c1cnoc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
MLYCD O95822 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TP53 P04637 1/20 0.40
EPHX2 P34913 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
LMNA P02545 2/20 0.39
PTGER4 P35408 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5772913 0.86 MAPT (0.49) DHODHPOLBMAPTMLYCDCYP2C9
SCHEMBL5776864 0.86 GAA (0.51) POLBMAPTCYP2C9CYP2C19TP53
SCHEMBL11384351 0.84 ALDH1A1 (0.48) MAPTCYP2C9CYP2C19TRPV1LMNA
SCHEMBL5773388 0.84 TARBP2 (0.48) MAPTCYP19A1CYP2C9CYP2C19LMNA
SCHEMBL343836 0.82 HTT (0.50) MAPTCYP19A1CYP2C9CYP2C19LMNA
SCHEMBL5771735 0.82 ALDH1A1 (0.50) POLBMAPTCYP2C9CYP2C19TP53
SCHEMBL10668171 0.82 SMN1; SMN2 (0.52) POLBMAPTTP53LMNANPC1
SCHEMBL6502372 0.81 TSHR (0.53) POLBMAPTCYP2C9CYP2C19TP53
SCHEMBL5774574 0.80 ALDH1A1 (0.43) POLBMAPTCYP19A1CYP2C9CYP2C19
SCHEMBL21172100 0.79 CYP11B1 (0.44) DHODHPOLBMAPTCYP19A1CYP2C9

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 DHODH 1818/4885POLB 3996/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 DHODH 3464/4885POLB 3909/4885MAPT 4763/4885

“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.