SCHEMBL5505706

SCHEMBL5505706

CCCCCC(=O)NCCSC(=O)CCCCC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.58
DNM1 Q05193 2/20 0.54
CASP2 P42575 1/20 0.53
LPAR1 Q92633 1/20 0.52
NAAA Q02083 1/20 0.50
EPHX2 P34913 3/20 0.47
SELP P16109 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CNR1 P21554 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL5495525 0.98 FAAH (0.61) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL5500554 0.98 FAAH (0.61) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL5501191 0.94 FAAH (0.50) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL31076315 0.88 FAAH (0.53) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL5500002 0.85 CASP2 (0.57) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL5088794 0.84 ZDHHC7 (0.59) FAAHCASP2LPAR1HSP90AA1ALDH1A1
SCHEMBL6261331 0.83 FAAH (0.65) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL1630120 0.82 FAAH (0.73) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL12360830 0.81 FAAH (0.62) FAAHDNM1CASP2LPAR1NAAA
SCHEMBL21600767 0.81 FAAH (0.58) FAAHDNM1CASP2LPAR1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FAAH 2517/4885DNM1 4376/4885CASP2 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.