SCHEMBL3974843

SCHEMBL3974843

Cc1onc(-c2cccc(F)c2)c1C(=O)c1cc(C(=O)O)n(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.50
GAA P10253 3/20 0.45
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.43
P2RY12 Q9H244 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.42
GABRA5 P31644 5/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL3978337 0.89 KMT2A (0.54) GAATSHRP2RY12KMT2AMEN1
SCHEMBL3976772 0.88 GPBAR1 (0.46) GPBAR1GAATSHRCYP2C9P2RY12
SCHEMBL3978965 0.84 GPBAR1 (0.44) GPBAR1GAATSHRP2RY12GABRA5
SCHEMBL3979034 0.83 GABRA5 (0.51) GPBAR1GAATSHRP2RY12KMT2A
SCHEMBL3976838 0.83 GABRA5 (0.51) GPBAR1GAATSHRP2RY12KMT2A
SCHEMBL27918170 0.83 GPBAR1 (0.63) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL3976158 0.82 GABRA5 (0.56) GPBAR1GAATSHRP2RY12GABRA5
SCHEMBL4594713 0.81 GPBAR1 (0.62) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL3976845 0.81 KMT2A (0.45) GAATSHRCYP2C9P2RY12KMT2A
SCHEMBL4605598 0.79 GPBAR1 (0.45) GPBAR1GAATSHRCYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
CN-101263139-A Isoxazolo derivatives as GABA A alpha5 inverse agonists HOFFMANN LA ROCHE (CH) 2008-09-10 CN disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 GPBAR1 214/4885GAA 1385/4885TSHR 707/4885

“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.