SCHEMBL6971962

SCHEMBL6971962

CCOC(=O)C(C=O)c1ccc(SC)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 4/20 0.41
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
RCE1 Q9Y256 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36

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
SCHEMBL1970294 0.83 MEN1 (0.44) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL11770256 0.82 ESR1 (0.49) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL27971666 0.81 MAPT (0.47) ALDH1A1MAPTKDM4EMAPK1LMNA
SCHEMBL3232287 0.81 CA12 (0.45) ALDH1A1MAPTLMNANPSR1TSHR
SCHEMBL2554850 0.81 MAPT (0.47) ALDH1A1MAPTKDM4EMAPK1LMNA
SCHEMBL1516027 0.80 MMP8 (0.53) MAPTKDM4ELMNAKMT2ATSHR
SCHEMBL6669586 0.79 ALOX15 (0.47) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL1970366 0.79 MEN1 (0.46) ALDH1A1MAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL24129414 0.79 SLC6A4 (0.48) ALDH1A1MAPTKDM4EMAPK1SLC6A4
SCHEMBL4038007 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMAPK1SLC6A4

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 261/4885MAPT 4521/4885KDM4E 3648/4885

“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.