SCHEMBL5499760

SCHEMBL5499760

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nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
GAPDH P04406 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL5494816 1.00 TSHR (0.33) TSHRGAPDHTRPA1
SCHEMBL18160120 0.84 TSHR (0.35) TSHRGAPDHTRPA1
SCHEMBL20088929 0.84 TSHR (0.35) TSHRGAPDHTRPA1
SCHEMBL20088936 0.84 TSHR (0.35) TSHRGAPDHTRPA1
SCHEMBL13176735 0.82 TSHR (0.33) TSHRGAPDHTRPA1
SCHEMBL5840288 0.80
SCHEMBL8890971 0.80
SCHEMBL1189342 0.80
SCHEMBL4014096 0.80
SCHEMBL1783505 0.76 PTPN1 (0.38) TSHRGAPDH

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 7 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 claimed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US claimed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US claimed
JP-2002535387-A 2002-10-22 JP claimed
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP claimed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO claimed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 WO claimed

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 TSHR 2665/4885GAPDH 1961/4885TRPA1 4723/4885

“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.