SCHEMBL5771770

SCHEMBL5771770

N#Cc1ccc(-c2oncc2CCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.41
CYP11B1 P15538 6/20 0.41
SLC22A12 Q96S37 2/20 0.35
MMP3 P08254 1/20 0.35
DHODH Q02127 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL5773427 0.81 TDO2 (0.42) CYP11B2CYP11B1SIRT2CYP19A1CYP2C9
SCHEMBL5774918 0.81 CYP19A1 (0.39) TSHRSIRT2CYP19A1CYP2C9CYP2C19
SCHEMBL5774064 0.81 PPARA (0.42) CYP11B2CYP11B1SIRT2CYP19A1CYP2C9
SCHEMBL5777551 0.81 TDO2 (0.42) CYP11B2CYP11B1SIRT2CYP19A1CYP2C9
SCHEMBL5774173 0.81 SIRT2 (0.52) CYP11B2CYP11B1TSHRSIRT2CYP19A1
SCHEMBL5776248 0.80 TDO2 (0.45) CYP11B2CYP11B1SIRT2
SCHEMBL5773617 0.77 TRPV1 (0.44) CYP11B2CYP11B1SIRT2
SCHEMBL5772652 0.77 MEN1 (0.52) CYP11B2CYP11B1SIRT2CYP19A1CYP2C9
SCHEMBL5776907 0.75 SIRT2 (0.33) SIRT2CYP19A1CYP2C9CYP2C19
SCHEMBL5771560 0.74 SIRT2 (0.40) TSHRSIRT2

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 CYP11B2 13/4885CYP11B1 10/4885SLC22A12 922/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP11B2 16/4885CYP11B1 9/4885SLC22A12 1238/4885

“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.