SCHEMBL16502248

SCHEMBL16502248

CCOC(=O)Cc1ccccc1OBO

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.52
▸ PKM P14618 1/20 0.48
▸ CYP4F2 P78329 2/20 0.45
▸ CYP4A11 Q02928 2/20 0.45
▸ USP2 O75604 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ DPP4 P27487 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ABCB1 P08183 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
SCHEMBL7890168 0.85 TBXAS1 (0.59) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL1792326 0.82 TSHR (0.55) TBXAS1PKML3MBTL1TSHRSMN1; SMN2
SCHEMBL5659207 0.81 TBXAS1 (0.62) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL68340 0.81 PKM (0.60) TBXAS1PKMCYP4F2CYP4A11L3MBTL1
SCHEMBL23229267 0.81 TBXAS1 (0.51) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL27688208 0.80 TBXAS1 (0.54) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL9198638 0.80 TBXAS1 (0.51) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL18050464 0.79 CYP4F2 (0.50) TBXAS1PKMCYP4F2CYP4A11USP2
SCHEMBL28392981 0.79 TBXAS1 (0.50) TBXAS1PKMCYP4F2CYP4A11L3MBTL1
SCHEMBL5661211 0.79 TBXAS1 (0.53) TBXAS1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 — — 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 TBXAS1 282/4885PKM 2247/4885CYP4F2 4464/4885

“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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