SCHEMBL5272525

SCHEMBL5272525

CC(=O)OC[C@H]1O[C@@H](c2cccc(Cc3cc4cccccc-4c3C(C)=O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 4/20 0.61
▸ TSHR P16473 1/20 0.60
▸ PTPN1 P18031 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ CA12 O43570 4/20 0.40
▸ CA1 P00915 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA6 P23280 2/20 0.40
▸ CA5A P35218 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA13 Q8N1Q1 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ CA5B Q9Y2D0 2/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL14590112 0.89 TSHR (0.59) SLC5A2TSHRPTPN1LMNAKMT2A
SCHEMBL5271015 0.85 TSHR (0.70) SLC5A2TSHRPTPN1LMNAKMT2A
SCHEMBL12731192 0.85 TSHR (0.76) SLC5A2TSHRPTPN1LMNAKMT2A
SCHEMBL5523365 0.80 TSHR (0.73) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL12509908 0.80 TSHR (0.73) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL14590100 0.78 PTPN1 (0.49) SLC5A2TSHRPTPN1LMNAKMT2A
SCHEMBL5275185 0.78 TSHR (0.48) SLC5A2TSHRPTPN1LMNAKMT2A
SCHEMBL18427873 0.78 TSHR (0.65) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL12725076 0.78 TSHR (0.65) SLC5A2TSHRPTPN1LMNAKMT2A
SCHEMBL12510088 0.78 TSHR (0.70) TSHRPTPN1LMNAKMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169761-B2 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-01-30 — — US disclosed
US-7169761-B2 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-01-30 — — US disclosed
US-7169761-B2 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-01-30 — — US disclosed
EP-1553094-A1 AZULENE DERIVATIVES AND SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-13 — — EP disclosed
US-20050124555-A1 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2005-06-09 — — 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-20050124555-A1 Azulene derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 SLC5A2 2/4885TSHR 1442/4885PTPN1 150/4885

“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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