SCHEMBL4605073

SCHEMBL4605073

CC(C)c1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.45
MAP2K4 P45985 1/20 0.43
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
LIFR P42702 1/20 0.38
GABRA5 P31644 4/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
PTGFR P43088 1/20 0.35

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
SCHEMBL4603415 0.91 GABRA5 (0.44) NR1H4MAP2K4GABRA5
SCHEMBL4605381 0.88 GPBAR1 (0.46) MAP2K4CSNK2A2CSNK2BGABRA5GPBAR1
SCHEMBL4981559 0.87 GABRA5 (0.46) NR1H4GABRA5
SCHEMBL4981274 0.86 NR1H4 (0.40) NR1H4GABRA5
SCHEMBL14188874 0.86 GABRA5 (0.49) GABRA5
SCHEMBL28775774 0.85 NR1H4 (0.45) NR1H4LIFRGABRA5GPBAR1
SCHEMBL4981882 0.85 GABRA5 (0.50) NR1H4GABRA5
SCHEMBL14188870 0.84 HPGD (0.47)
SCHEMBL4605621 0.79 GABRA5 (0.50) MAP2K4GABRA5GPBAR1
SCHEMBL4594883 0.78 GPBAR1 (0.47) NR1H4LIFRGABRA5GPBAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101277952-A Isoxazole derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
EP-1937674-A1 ISOXAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
WO-2007042420-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 US 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 (1 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-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives GABRA5, GABRA4, CHRNA5 NR1H4 481/4885MAP2K4 3769/4885CSNK2A2 795/4885

“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.