SCHEMBL6977259

SCHEMBL6977259

Cc1ccc(CC(=O)S)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DAO P14920 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GPR183 P32249 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KMO O15229 1/20 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
SCHEMBL283594 0.83 KDM4E (0.50) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL10864263 0.83 HDAC1 (0.44) HDAC1HDAC6DAOKMT2AMEN1
SCHEMBL9267366 0.82 LMNA (0.45) KMT2AMEN1ALDH1A1LMNA
SCHEMBL4108950 0.81 KMT2A (0.44) HDAC1HDAC6DAOKMT2AMEN1
SCHEMBL5956162 0.81 CA2 (0.47) HDAC1HDAC6DAOKMT2AALDH1A1
SCHEMBL18912182 0.79 PARP1 (0.43) HDAC1HDAC6DAOKMT2AALDH1A1
SCHEMBL16379385 0.79 HDAC1 (0.41) HDAC1HDAC6DAOKMT2AMEN1
SCHEMBL18911986 0.79 KMT2A (0.45) HDAC1HDAC6DAOKMT2AMEN1
SCHEMBL1555409 0.79 ALDH1A1 (0.53) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL2655186 0.78 CA2 (0.44) KMT2AALDH1A1MAPTLMNA

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 HDAC1 484/4885HDAC6 728/4885DAO 870/4885

“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.