SCHEMBL3977573

SCHEMBL3977573

Cc1onc(-c2ccccc2Cl)c1C(=O)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
MAPT P10636 5/20 0.56
LMNA P02545 4/20 0.56
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
GPBAR1 Q8TDU6 4/20 0.55
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL3974280 0.88 ALDH1A1 (0.58) HSD17B10MAPTLMNAALDH1A1GPBAR1
SCHEMBL3976223 0.87 HTT (0.50) HSD17B10MAPTLMNAALDH1A1GAA
SCHEMBL3977232 0.87 SMN1; SMN2 (0.50) HSD17B10MAPTLMNAALDH1A1GAA
SCHEMBL3977220 0.85 HTT (0.65) MAPTLMNAALDH1A1GAAPOLB
SCHEMBL28771249 0.84 CYP2C19 (0.56) HSD17B10MAPTLMNAALDH1A1GAA
SCHEMBL14765558 0.83 MAPT (0.77) HSD17B10MAPTLMNAALDH1A1GAA
Propyne SCHEMBL4948649 0.82 HTT (0.60) MAPTLMNAALDH1A1GAAPOLB
SCHEMBL3976793 0.82 HTT (0.54) MAPTLMNAALDH1A1GAAGPBAR1
SCHEMBL28771246 0.82 HSD17B10 (0.55) HSD17B10MAPTLMNAALDH1A1GAA
SCHEMBL27910275 0.82 HSD17B10 (0.78) HSD17B10MAPTLMNAALDH1A1GAA

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 12 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
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
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
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
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
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US 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 HSD17B10 1271/4885MAPT 253/4885LMNA 4188/4885

“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.