SCHEMBL5772931

SCHEMBL5772931

ClCc1conc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
GABRA5 P31644 3/20 0.38
HSP90AA1 P07900 1/20 0.37
LMNA P02545 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL3213310 0.96 PTGS2 (0.41) PTGS2GABRA5HSP90AA1LMNAL3MBTL1
SCHEMBL5775916 0.82 NOTUM (0.46) PTGS2GABRA5HSP90AA1LMNAL3MBTL1
SCHEMBL7514384 0.78 NOTUM (0.44) PTGS2TP53MEN1KMT2AALDH1A1
SCHEMBL23366325 0.78 PTGS2 (0.47) PTGS2GABRA5HSP90AA1LMNAL3MBTL1
SCHEMBL28139688 0.78 NOTUM (0.44) PTGS2GABRA5HSP90AA1LMNAL3MBTL1
SCHEMBL8306253 0.78 GABRA5 (0.42) PTGS2GABRA5HSP90AA1LMNAL3MBTL1
SCHEMBL2929388 0.78 NOTUM (0.49) PTGS2GABRA5HSP90AA1LMNAL3MBTL1
SCHEMBL5771405 0.76 FFAR4 (0.52) PTGS2GABRA5LMNAMAPK1HTT
SCHEMBL4973045 0.74 PTGS2 (0.41) PTGS2GABRA5HSP90AA1LMNAL3MBTL1
SCHEMBL27819710 0.74 KDM4E (0.49) PTGS2GABRA5HSP90AA1LMNAHTT

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 PTGS2 2873/4885GABRA5 707/4885HSP90AA1 3388/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PTGS2 2585/4885GABRA5 991/4885HSP90AA1 3090/4885

“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.