SCHEMBL13990446

SCHEMBL13990446

O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cccc(F)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.51
▸ DCLRE1B Q9H816 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ TYMS P04818 1/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PLK1 P53350 1/20 0.39

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
SCHEMBL13990444 0.91 GPR35 (0.41) GPR35DCLRE1BNR4A1NR4A2NR4A3
SCHEMBL13990442 0.86 DHODH (0.48) GPR35NR4A1NR4A2NR4A3TYMS
SCHEMBL13990449 0.86 FOLH1 (0.47) TYMSDHODHCYSLTR1KDM4EALDH1A1
SCHEMBL13990447 0.85 DCLRE1B (0.44) DCLRE1BTYMSDHODHGABRPGABRD
SCHEMBL13990441 0.84 MCL1 (0.45) KDM4EALDH1A1TRPM2KMO
SCHEMBL13990443 0.81 TYMS (0.40) GPR35DCLRE1BTYMSDHODHCYSLTR1
SCHEMBL13990445 0.80 RXRA (0.44) TYMSDHODHCYSLTR1KDM4EALDH1A1
SCHEMBL13990448 0.79 GPR35 (0.46) GPR35NR4A1NR4A2NR4A3TYMS
SCHEMBL13990451 0.74 TYMS (0.44) NR4A1NR4A2NR4A3TYMSDHODH
SCHEMBL17797037 0.73 DCLRE1B (0.56) GPR35DCLRE1BNR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — US disclosed
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — 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-20080319175-A1 Transthyretin Stabilization TTR, TTPA, ALB GPR35 4535/4885DCLRE1B 1609/4885NR4A1 2206/4885

“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.

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