SCHEMBL5495532

SCHEMBL5495532

CCCCCCC(=O)NCCS

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.68
FAAH O00519 5/20 0.67
CASP2 P42575 1/20 0.62
NAAA Q02083 1/20 0.58
HSP90AA1 P07900 1/20 0.55
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
EPHX2 P34913 3/20 0.54
SELP P16109 1/20 0.54
CNR1 P21554 1/20 0.53

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
SCHEMBL10494183 1.00 DNM1 (0.68) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL30632366 1.00 DNM1 (0.68) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL9001775 1.00 DNM1 (0.68) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL5503356 1.00 DNM1 (0.68) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL13826993 1.00 DNM1 (0.68) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL3117197 0.98 DNM1 (0.65) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL3113406 0.92 DNM1 (0.56) DNM1FAAHCASP2NAAAHDAC3
SCHEMBL9203398 0.90 EPHX2 (0.70) FAAHEPHX2CNR1
SCHEMBL9203407 0.90 EPHX2 (0.70) FAAHEPHX2CNR1
SCHEMBL4343780 0.89 HDAC3 (0.62) DNM1FAAHCASP2HDAC3HDAC4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021262636-A2 COMPOUNDS FOR TARGETED DEGRADATION OF INTERLEUKIN-2-INDUCIBLE T-CELL KINASE AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-12-30 WO disclosed
EP-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP disclosed
US-7022825-B2 Polyketides and antibiotics KOSAN BIOSCIENCES, INC. (US) 2006-04-04 US disclosed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US disclosed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US disclosed
US-6492562-B1 INVENTION ALSO RELATES TO NOVEL INTERMEDIATES AND THE RESULTING MODIFIED POLYKETIDES AND ANTIBIOTICS. KOSAN BIOSCIENCES, INC. 2002-12-10 US disclosed
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP disclosed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO disclosed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 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-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer COASY, KARS1, ACOT7 DNM1 4376/4885FAAH 2517/4885CASP2 2240/4885

“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.