SCHEMBL6978893

SCHEMBL6978893

S=C(Cc1ccc(N2CCSCC2)cc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MGLL Q99685 4/20 0.62
FAAH O00519 3/20 0.62
MAPT P10636 4/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
MEN1 O00255 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LGMN Q99538 1/20 0.46
NQO1 P15559 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
AKR1C3 P42330 3/20 0.38

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
SCHEMBL11862607 0.82 ALDH1A1 (0.61) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL8655426 0.81 ALDH1A1 (0.50) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4397261 0.77 ALDH1A1 (1.00) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4399380 0.77 ALDH1A1 (1.00) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL1108678 0.77 MGLL (0.82) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL8984231 0.77 MGLL (0.66) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL12590360 0.75 ALDH1A1 (0.72) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL19380615 0.75 MGLL (1.00) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4391501 0.74 ALDH1A1 (0.68) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4394405 0.74 ALDH1A1 (1.00) ALDH1A1MGLLFAAHMAPTHPGD

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 ALDH1A1 261/4885MGLL 3572/4885FAAH 3841/4885

“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.