SCHEMBL22533658

SCHEMBL22533658

OB(O)c1ccc(Cn2ccc3c(O)nccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.40
▸ KLK1 P06870 4/20 0.40
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.35
▸ LPL P06858 2/20 0.34
▸ LIPG Q9Y5X9 2/20 0.34
▸ F2R P25116 3/20 0.33
▸ F11 P03951 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC2A1 P11166 2/20 0.32
▸ APP P05067 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
SCHEMBL29424699 1.00 KLKB1 (0.40) KLKB1KLK1LMNASMN1; SMN2DCTPP1
SCHEMBL29424694 0.86 KLKB1 (0.40) KLKB1KLK1LMNASMN1; SMN2DCTPP1
SCHEMBL22533525 0.86 KLKB1 (0.40) KLKB1KLK1LMNASMN1; SMN2DCTPP1
SCHEMBL22533644 0.82 ACACB (0.39) KLKB1KLK1LMNASMN1; SMN2DCTPP1
SCHEMBL29424845 0.82 ACACB (0.39) KLKB1KLK1LMNASMN1; SMN2DCTPP1
SCHEMBL22533474 0.79 KLKB1 (0.31) KLKB1KLK1
SCHEMBL22547751 0.78 KLKB1 (0.40) KLKB1KLK1LMNASMN1; SMN2F2R
SCHEMBL30067085 0.78 KLKB1 (0.40) KLKB1KLK1LMNASMN1; SMN2F2R
SCHEMBL22533675 0.78 EGLN1 (0.42) LMNASMN1; SMN2DCTPP1LPLLIPG
SCHEMBL22533596 0.78 FGFR1 (0.38) KLKB1KLK1DCTPP1LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN claimed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 — — EP disclosed
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 — — EP disclosed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO 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-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 KLKB1 4375/4885KLK1 4674/4885LMNA 2475/4885

“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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