SCHEMBL22501587

SCHEMBL22501587

Cc1cc(=O)oc2cc(NCC#N)ccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.75
▸ CA9 Q16790 6/20 0.75
▸ CA4 P22748 1/20 0.75
▸ ALB P02768 4/20 0.58
▸ MAOB P27338 2/20 0.58
▸ ALDH1A1 P00352 9/20 0.58
▸ CA1 P00915 4/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ KDM4E B2RXH2 8/20 0.58
▸ HPGD P15428 7/20 0.58
▸ HSD17B10 Q99714 6/20 0.58
▸ GLA P06280 5/20 0.58
▸ GAA P10253 5/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ ALDH2 P05091 1/20 0.58
▸ RAB9A P51151 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ PKM P14618 1/20 0.52
▸ MEN1 O00255 1/20 0.52

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
SCHEMBL1034943 0.84 CA12 (0.72) CA12CA9CA4ALBMAOB
SCHEMBL29673209 0.84 CA12 (0.72) CA12CA9CA4ALBMAOB
SCHEMBL30228128 0.83 CA12 (0.54) CA12CA9CA4ALBMAOB
SCHEMBL19026763 0.82 CA12 (0.70) CA12CA9CA4ALBMAOB
SCHEMBL8620142 0.80 CA12 (0.67) CA12CA9CA4ALBMAOB
SCHEMBL22501750 0.79 CA12 (0.65) CA12CA9CA4ALBMAOB
SCHEMBL22501643 0.79 CA12 (0.65) CA12CA9CA4ALBMAOB
Hydrogen Sulfide SCHEMBL8625831 0.79 CA12 (0.65) CA12CA9CA4ALBMAOB
SCHEMBL8620139 0.79 CA12 (0.65) CA12CA9CA4ALBMAOB
SCHEMBL10879803 0.79 ALDH1A1 (0.67) CA12CA9CA4ALBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains THE SCRIPPS RESEARCH INSTITUTE 2024-04-02 — — US disclosed
US-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS THE SCRIPPS RESEARCH INSTITUTE 2022-06-30 — — US disclosed
US-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS THE SCRIPPS RESEARCH INSTITUTE 2022-06-30 — — US disclosed
EP-3946604-A1 BENZOPYRANE AND IMIDAZOLE DERIVATIVES USEFUL FOR THE STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS The Scripps Research Institute (US) 2022-02-09 — — EP disclosed
WO-2020205683-A1 BENZOPYRANE AND IMIDAZOLE DERIVATIVES USEFUL FOR THE STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-10-08 — — 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 (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-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS TTR, MAP1LC3B, SAAL1 CA12 3257/4885CA9 4361/4885CA4 4472/4885
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains TTR, MAP1LC3B, SAAL1 CA12 3257/4885CA9 4361/4885CA4 4472/4885

“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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