SCHEMBL6971645

SCHEMBL6971645

CCc1c(OC(C)=O)ccc(OC)c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
PTGS1 P23219 1/20 0.43
TNFSF11 O14788 1/20 0.42
NR3C1 P04150 1/20 0.42
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
VCP P55072 1/20 0.38
AKT1 P31749 1/20 0.38
CFD P00746 1/20 0.37
AMY1A P0DUB6 1/20 0.37

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
SCHEMBL6975036 0.83 PIM1 (0.45) TSHRPTGS1CYP4F2CYP4A11KDM4E
SCHEMBL17232506 0.82 TUBB1 (0.36) KDM4EGAARAB9A
SCHEMBL30587342 0.82 KDM4E (0.47) TSHRPTGS1CYP4F2CYP4A11KDM4E
SCHEMBL29058037 0.82 KDM4E (0.47) TSHRPTGS1CYP4F2CYP4A11KDM4E
SCHEMBL3283035 0.81 TSHR (0.46) TSHRPTGS1TNFSF11NR3C1JUN
SCHEMBL6694462 0.81 CFD (0.49) TSHRPTGS1CYP4F2CYP4A11KDM4E
SCHEMBL5737351 0.79 CYP4F2 (0.40) TSHRPTGS1CYP4F2CYP4A11KDM4E
SCHEMBL6692045 0.77 TSHR (0.44) TSHRCYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL13285652 0.77 MAPT (0.47) TSHRKDM4EALDH1A1RAB9A
SCHEMBL28691323 0.75 MAPK1 (0.47) TSHRPTGS1TNFSF11NR3C1JUN

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
EP-1107756-A4 NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2003-02-26 EP disclosed
US-20020094984-A1 Novel isoxazolinone antibacterial agents SNYDER LAWRENCE B (US) 2002-07-18 US disclosed
US-6420349-B1 POTENT ANTIBIOTIC ACTIVE AGAINST GRAM-POSITIVE BACTERIA; ANIMAL FEED;FOOD PRESERVATIVES; WATERBASED PAINTS; WHITE WATER OF PAPER MILLS; DISINFECTANTS FOR MEDICAL AND DENTAL EQUIPMENT BRISTOL-MYERS SQUIBB COMPANY 2002-07-16 US disclosed
EP-1107756-A1 NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-20 EP disclosed
WO-2000010566-A1 NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-02 WO 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-20020094984-A1 Novel isoxazolinone antibacterial agents RPS4X, RPS4Y1, CYP51A1 TSHR 3036/4885PTGS1 822/4885TNFSF11 4369/4885

“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.