SCHEMBL5500002

SCHEMBL5500002

CCCC(=O)NCCSC(=O)CCC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.57
NAAA Q02083 1/20 0.44
HPGD P15428 2/20 0.44
FAAH O00519 3/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GBA1 P04062 2/20 0.41
TSHR P16473 1/20 0.41
LPAR1 Q92633 1/20 0.41
DNM1 Q05193 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSD P07339 1/20 0.40

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
SCHEMBL5501191 0.86 FAAH (0.50) CASP2NAAAHPGDFAAHTSHR
SCHEMBL5505706 0.85 FAAH (0.58) CASP2NAAAHPGDFAAHLPAR1
SCHEMBL6236684 0.84 CASP2 (0.52) CASP2NAAAHPGDFAAHHDAC3
SCHEMBL16260817 0.84 TSHR (0.54) CASP2HPGDHDAC3HDAC1HDAC2
SCHEMBL22056570 0.84 CASP2 (0.49) CASP2NAAAHPGDFAAHGBA1
SCHEMBL5500554 0.83 FAAH (0.61) CASP2NAAAHPGDFAAHLPAR1
SCHEMBL5495525 0.83 FAAH (0.61) CASP2NAAAHPGDFAAHLPAR1
SCHEMBL17164975 0.82 MEN1 (0.58) CASP2NAAAHPGDFAAHTSHR
SCHEMBL14976750 0.81 CASP2 (0.57) CASP2NAAAHPGDFAAHHDAC3
SCHEMBL11744275 0.81 CASP2 (0.58) CASP2NAAAHPGDFAAHDNM1

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 CASP2 2240/4885NAAA 684/4885HPGD 1699/4885

“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.