SCHEMBL6480255

SCHEMBL6480255

O=C(Cc1ccnc(C=S)n1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 5/20 0.39
PTPN1 P18031 1/20 0.39
PLOD2 O00469 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HTR7 P34969 1/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
LTA4H P09960 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
CTSD P07339 1/20 0.34

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
SCHEMBL2161557 0.78 RAB9A (0.57) RAB9ANPC1PTPN1PLOD2ALDH1A1
SCHEMBL1554048 0.75 RAB9A (0.54) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL1554350 0.72 RAB9A (0.50) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL2932069 0.72 RAB9A (0.65) RAB9ANPC1PTPN1PLOD2ALDH1A1
SCHEMBL14561014 0.70 RAB9A (0.48) RAB9A
SCHEMBL6598838 0.70 RAB9A (1.00) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL8296405 0.70 RAB9A (0.62) RAB9ANPC1PTPN1PLOD2ALDH1A1
SCHEMBL2010768 0.70 RAB9A (0.61) RAB9ANPC1PTPN1PLOD2ALDH1A1
SCHEMBL5214600 0.70 RAB9A (0.61) RAB9ANPC1PTPN1PLOD2ALDH1A1
SCHEMBL9661934 0.69 RAB9A (0.66) RAB9ANPC1PTPN1PLOD2ALDH1A1

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-6919346-B2 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity THE PROCTER & GAMBLE COMPANY (US) 2005-07-19 US disclosed
US-6790846-B2 SUCH AS 2-ETHYOXYMETHYL-4-(4-FLOUROPHENYL)-3-PYRIDIN-4-YL-2H-ISOXAZOL-5-ONE FOR INHIBITION OF THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR; TREATMENT OF ARTHRITIS AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-14 US disclosed
US-20040122025-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity THE PROCTER & GAMBLE COMPANY 2004-06-24 US disclosed
EP-1392299-A1 ISOXAZOLONE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2004-03-03 EP disclosed
US-20030096814-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-22 US disclosed
WO-2002094266-A1 ISOXAZOLONE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2002-11-28 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 (2 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-20030096814-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity TNF, IL5, GPR35 RAB9A 2336/4885NPC1 4620/4885PTPN1 4222/4885
US-20040122025-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity TNF, IL5, GPR35 RAB9A 2336/4885NPC1 4620/4885PTPN1 4222/4885

“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.