SCHEMBL5774888

SCHEMBL5774888

Cc1onc(-c2ccccc2Cl)c1CCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.56
LMNA P02545 1/20 0.54
MAPT P10636 3/20 0.54
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
GPBAR1 Q8TDU6 5/20 0.53
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
PPARD Q03181 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
NR4A2 P43354 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.49

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
SCHEMBL27936756 0.86 CYP2C19 (0.60) CYP2C19HSD17B10LMNAMAPTPTGS1
SCHEMBL5242041 0.83 HSD17B10 (0.65) CYP2C19HSD17B10LMNAMAPTPTGS1
SCHEMBL256686 0.79 PTGS1 (0.59) CYP2C19HSD17B10LMNAMAPTPTGS1
SCHEMBL21119516 0.79 PTGS1 (0.59) CYP2C19HSD17B10LMNAMAPTPTGS1
SCHEMBL5772667 0.78 FFAR4 (0.65) MAPTGPBAR1RXRARXRBKMT2A
SCHEMBL11234151 0.77 PTGS1 (0.54) CYP2C19HSD17B10LMNAMAPTPTGS1
SCHEMBL30395456 0.76 HSD17B10 (0.76) CYP2C19HSD17B10LMNAMAPTGPBAR1
SCHEMBL459354 0.76 HSD17B10 (0.76) CYP2C19HSD17B10LMNAMAPTGPBAR1
Hydrochloric Acid SCHEMBL11554371 0.75 HSD17B10 (0.74) CYP2C19HSD17B10LMNAMAPTGPBAR1
SCHEMBL27910275 0.75 HSD17B10 (0.78) CYP2C19HSD17B10LMNAMAPTGPBAR1

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 CYP2C19 28/4885HSD17B10 305/4885LMNA 2770/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP2C19 34/4885HSD17B10 194/4885LMNA 2605/4885

“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.