SCHEMBL5501191

SCHEMBL5501191

CCCCC(=O)NCCSC(=O)CCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.50
CASP2 P42575 1/20 0.50
DNM1 Q05193 2/20 0.47
NAAA Q02083 1/20 0.47
LPAR1 Q92633 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
CNR1 P21554 3/20 0.44
EPHX2 P34913 1/20 0.41
SELP P16109 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL5505706 0.94 FAAH (0.58) FAAHCASP2DNM1NAAALPAR1
SCHEMBL5495525 0.93 FAAH (0.61) FAAHCASP2DNM1NAAALPAR1
SCHEMBL5500554 0.93 FAAH (0.61) FAAHCASP2DNM1NAAALPAR1
SCHEMBL5500002 0.86 CASP2 (0.57) FAAHCASP2DNM1NAAALPAR1
SCHEMBL15241525 0.85 ZDHHC7 (0.54) CASP2HPGDTSHR
SCHEMBL17936383 0.84 CASP2 (0.53) FAAHCASP2DNM1NAAALPAR1
SCHEMBL12107776 0.82 ALDH1A1 (0.52) FAAHCASP2DNM1NAAALPAR1
SCHEMBL31076315 0.82 FAAH (0.53) FAAHCASP2DNM1NAAALPAR1
SCHEMBL14576902 0.81 CASP2 (0.64) FAAHCASP2DNM1NAAACNR1
SCHEMBL17164975 0.80 MEN1 (0.58) FAAHCASP2NAAALPAR1HPGD

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 2517/4885CASP2 2240/4885DNM1 4376/4885

“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.