SCHEMBL3976772

SCHEMBL3976772

Cc1onc(-c2ccc(F)cc2)c1C(=O)c1cc(C(=O)O)n(C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
GABRA5 P31644 1/20 0.43
P2RY12 Q9H244 1/20 0.43
BACE1 P56817 2/20 0.42
USP2 O75604 1/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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 0.90 KMT2A (0.54) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL3976845 0.89 KMT2A (0.45) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3974843 0.88 GPBAR1 (0.50) GPBAR1KMT2AMEN1KDM4ELMNA
SCHEMBL27736156 0.82 KMT2A (0.43) GPBAR1KMT2AMEN1KDM4ELMNA
SCHEMBL3975360 0.82 NPC1 (0.48) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3980874 0.81 GABRA5 (0.55) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL27913634 0.80 GPBAR1 (0.60) GPBAR1KMT2AMEN1KDM4ELMNA
SCHEMBL457706 0.79 GPBAR1 (0.59) GPBAR1KMT2AMEN1KDM4ELMNA
SCHEMBL14034637 0.78 P2RY12 (0.48) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3979548 0.78 RAB9A (0.53) KMT2AMEN1KDM4ELMNAALDH1A1

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-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
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 214/4885KMT2A 2468/4885MEN1 4745/4885

“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.