SCHEMBL12418028

SCHEMBL12418028

C=N/C=C\C=C(/C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
AKR1C3 P42330 1/20 0.30

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
SCHEMBL22047555 0.84 PTGS1 (0.31) PTGS1
SCHEMBL18822482 0.80
SCHEMBL22380075 0.80 TDP1 (0.35)
SCHEMBL346616 0.77 PTGS1 (0.71) PTGS1AKR1C3
SCHEMBL18556334 0.77
SCHEMBL20362677 0.77
SCHEMBL28176299 0.75 PTGS1 (0.68) PTGS1AKR1C3
SCHEMBL23544310 0.73
SCHEMBL292979 0.73
SCHEMBL292980 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230069813-A9 Multiple Unit Dosage Form Having A Therapeutic Agent In Combination With A Nutritional Supplement BONAFIDE HEALTH, LLC 2023-03-02 US disclosed
US-RE46605-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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 (2 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-20230069813-A9 Multiple Unit Dosage Form Having A Therapeutic Agent In Combination With A Nutritional Supplement SLC5A6, SLC19A1, SLC25A20 PTGS1 2449/4885AKR1C3 2258/4885
US-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 PTGS1 941/4885AKR1C3 577/4885

“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.