SCHEMBL5502978

SCHEMBL5502978

CC(=O)NCCS.CCCCCC(O)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
GPR84 Q9NQS5 6/20 0.40
FFAR1 O14842 1/20 0.40
ACE2 Q9BYF1 1/20 0.37
FAAH O00519 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FOLH1 Q04609 1/20 0.36
PAOX Q6QHF9 1/20 0.36
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 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
SCHEMBL5496105 0.96 PAOX (0.37) ABCB1ZDHHC7GPR84FFAR1FAAH
SCHEMBL4817591 0.90 PAOX (0.35) ZDHHC7ALDH1A1SMN1; SMN2FOLH1PAOX
SCHEMBL5500614 0.90 PAOX (0.35) ZDHHC7ALDH1A1SMN1; SMN2FOLH1PAOX
SCHEMBL5884046 0.83 KDM4E (0.35) ACE2ALDH1A1SMN1; SMN2FOLH1PAOX
SCHEMBL5499259 0.82 MTNR1A (0.34) ALDH1A1SMN1; SMN2FOLH1PAOXMAPT
SCHEMBL5499942 0.82 MTNR1A (0.34) ALDH1A1SMN1; SMN2FOLH1MAPT
SCHEMBL5494606 0.82 MTNR1A (0.34) ALDH1A1SMN1; SMN2FOLH1MAPT
SCHEMBL3680620 0.81 GPR84 (0.57) ABCB1GPR84FFAR1ACE2SPHK1
SCHEMBL5495937 0.80 MTNR1A (0.33) SMN1; SMN2FOLH1MAPT
SCHEMBL7822400 0.79 GPR84 (0.61) ABCB1GPR84FFAR1ACE2FAAH

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 ABCB1 2767/4885ZDHHC7 85/4885GPR84 1447/4885

“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.