SCHEMBL13990448

SCHEMBL13990448

O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3ccccc3F)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.46
▸ TYMS P04818 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ACMSD Q8TDX5 1/20 0.40
▸ C1R P00736 1/20 0.39
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NR4A3 Q92570 1/20 0.38

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
SCHEMBL13990451 0.84 TYMS (0.44) TYMSHSD17B10KDM4EALDH1A1POLB
SCHEMBL13990442 0.83 DHODH (0.48) GPR35TYMSHSD17B10KDM4EALDH1A1
SCHEMBL13990444 0.80 GPR35 (0.41) GPR35TYMSNPC1RAB9ANR4A1
SCHEMBL13990446 0.79 GPR35 (0.51) GPR35TYMSHSD17B10ALBKDM4E
SCHEMBL13990430 0.78 CDC25B (0.43) NPC1RAB9AALBKDM4EALDH1A1
SCHEMBL10949940 0.76 HSD17B10 (0.50) GPR35TYMSHSD17B10ALDH1A1NR4A1
SCHEMBL13990449 0.75 FOLH1 (0.47) TYMSKDM4EALDH1A1POLBTDP1
SCHEMBL13990443 0.75 TYMS (0.40) GPR35TYMSALBDHODHCYSLTR1
SCHEMBL13990445 0.74 RXRA (0.44) TYMSHSD17B10KDM4EALDH1A1DHODH
SCHEMBL10949915 0.74 NR4A1 (0.47) GPR35TYMSHSD17B10KDM4EALDH1A1

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 4535/4885TYMS 259/4885NPC1 1197/4885

“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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