SCHEMBL14185075

SCHEMBL14185075

COC(=O)CCCCCCCCCCCCCCC(=O)OCC1OC(N2C=CC(N)NC2=O)C(O)C1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ GBA1 P04062 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ P2RY2 P41231 1/20 0.33
▸ P2RY4 P51582 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ HINT1 P49773 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ ABCG2 Q9UNQ0 3/20 0.32
▸ ABCB1 P08183 1/20 0.32

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
SCHEMBL14185071 0.91 PRKACA (0.33) PRKACAP2RY2P2RY4
SCHEMBL14185070 0.91 PRKACA (0.33) PRKACAP2RY2P2RY4
SCHEMBL14185074 0.91 PRKACA (0.33) PRKACAP2RY2P2RY4
SCHEMBL14185072 0.88 SLC2A1 (0.33) PRKACAP2RY2ABCG2ABCB1
SCHEMBL14185069 0.88 SLC2A1 (0.33) PRKACAP2RY2ABCG2ABCB1
SCHEMBL14185068 0.88 SLC2A1 (0.33) PRKACAP2RY2ABCG2ABCB1
SCHEMBL14185073 0.82 POLA1 (0.33) TDP1GBA1NLRP3ABCG2ABCB1
SCHEMBL14199831 0.82 ADK (0.39) P2RY2P2RY4P2RY14
SCHEMBL14178409 0.82 ADK (0.39) P2RY2P2RY4P2RY14
SCHEMBL14185076 0.73 LPAR1 (0.32) —

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-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 — — US disclosed
US-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 — — 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-20080103110-A1 Compounds ATIC, CDA, PAICS TDP1 1157/4885PRKACA 1656/4885GBA1 1444/4885

“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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