SCHEMBL3978253

SCHEMBL3978253

Cc1onc(-c2ccccc2F)c1C(=O)c1cc(C(=O)OCC2CC2)n(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.39
EPAS1 Q99814 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
GABRA5 P31644 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3977190 0.88 POLB (0.46) TSHRMAPK1MEN1KMT2APOLB
SCHEMBL3977472 0.87 GABRA5 (0.38) TSHRMAPK1MEN1KMT2APOLB
SCHEMBL3973247 0.86 GABRA5 (0.43) TSHRMAPK1GPBAR1POLBGABRA5
SCHEMBL3984576 0.83 CACNA1F (0.41) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL3976665 0.83 NPC1 (0.40) TSHRMAPK1GPBAR1TP53POLB
SCHEMBL3976103 0.83 TDP1 (0.43) TSHRMAPK1GPBAR1POLBNPC1
SCHEMBL3975866 0.82 BACE1 (0.43) TSHRGPBAR1MEN1KMT2AALDH1A1
SCHEMBL3982811 0.81 ATM (0.43) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL3979619 0.79 CACNA1F (0.40) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL3977560 0.78 P2RY12 (0.39) TSHRMAPK1GPBAR1MEN1KMT2A

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 3 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
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 HPGD 1675/4885TSHR 707/4885MAPK1 3874/4885

“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.