SCHEMBL5236477

SCHEMBL5236477

CCOC(=O)CCn1c(C(=O)OC(C)(C)C)c(O)c2cc(Cl)c(Cl)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNF P01375 12/20 0.40
KAT2B Q92831 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5577109 0.85 TNF (0.44) TNFKAT2BALDH1A1KDM4EGAA
SCHEMBL5237237 0.84 TNF (0.38) TNFKAT2BALDH1A1GAAPOLB
SCHEMBL6108164 0.81 CRHBP (0.33) CRHBPCRHR2ALDH1A1GAAPOLB
SCHEMBL5576641 0.81 GABRA1 (0.36) CRHBPCRHR2ALDH1A1GAAPOLB
SCHEMBL5237473 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGAAPOLBNPSR1
SCHEMBL5238633 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EGAAPOLBNPSR1
SCHEMBL5236340 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EGAANPSR1
SCHEMBL5236351 0.73 BAZ2B (0.45) ALDH1A1KDM4EGAA
SCHEMBL5236533 0.73 ALDH1A1 (0.41) TNFALDH1A1KDM4EGAA
SCHEMBL6106729 0.72 TNF (0.41) TNFKAT2BALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 TNF 4760/4885KAT2B 2602/4885CRHBP 2550/4885

“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.