SCHEMBL26072702

SCHEMBL26072702

COc1nc(Cl)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.40
▸ PTGS1 P23219 5/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ HSD11B1 P28845 1/20 0.37

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
SCHEMBL26072918 0.85 PTGS2 (0.42) PTGS2PTGS1IDO1HSD11B1
SCHEMBL26072684 0.84 PTGS2 (0.41) PTGS2PTGS1IDO1HSD11B1
SCHEMBL29395846 0.84 PTGS2 (0.41) PTGS2PTGS1IDO1HSD11B1
SCHEMBL26072322 0.83 KDM4E (0.41) PTGS2PTGS1IDO1HSD11B1
SCHEMBL26072604 0.80 PTGS2 (0.39) PTGS2PTGS1IDO1HSD11B1
SCHEMBL26072059 0.80 KDM5A (0.39) PTGS2PTGS1IDO1HSD11B1
SCHEMBL26072708 0.79 PTGS2 (0.38) PTGS2PTGS1IDO1HSD11B1
SCHEMBL26072151 0.76 PIK3CA (0.45) PTGS2PTGS1
SCHEMBL26071977 0.74 HRH3 (0.41) PTGS2PTGS1
SCHEMBL26072889 0.72 CA12 (0.42) PTGS2PTGS1

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-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — 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-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 PTGS2 1061/4885PTGS1 356/4885IDO1 326/4885

“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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