SCHEMBL6885417

SCHEMBL6885417

O=C(O)CCN1C(=O)C(=CC=CC=Cc2ccco2)SC1=S

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.81
▸ POLB P06746 11/20 0.81
▸ L3MBTL1 Q9Y468 9/20 0.81
▸ USP2 O75604 7/20 0.81
▸ APEX1 P27695 6/20 0.81
▸ ALPL P05186 5/20 0.81
▸ MCL1 Q07820 4/20 0.81
▸ NSD2 O96028 3/20 0.81
▸ GAA P10253 1/20 0.81
▸ ATM Q13315 1/20 0.81
▸ MEN1 O00255 13/20 0.64
▸ KMT2A Q03164 13/20 0.64
▸ KDM4E B2RXH2 8/20 0.64
▸ RECQL P46063 8/20 0.64
▸ TDP1 Q9NUW8 6/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ FFAR1 O14842 1/20 0.64
▸ THRB P10828 5/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ SAE1 Q9UBE0 1/20 0.59

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
SCHEMBL6885414 1.00 MAPT (0.81) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL6886015 0.96 MAPT (0.88) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL3971529 0.85 KMT2A (0.87) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL3971531 0.85 KMT2A (0.87) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL3893459 0.78 MAPT (1.00) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL5991599 0.78 MEN1 (0.75) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL3893463 0.78 MAPT (1.00) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL8172936 0.78 MAPT (0.64) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL6881118 0.77 MAPT (0.58) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL6881114 0.77 MAPT (0.58) MAPTPOLBL3MBTL1USP2APEX1

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-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 — — US disclosed
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders ANGELIKA ESSWEIN, WOLFGANG SCHAEFER, AND KONRAD HONOLD 2003-02-13 — — US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 — — EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — 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-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders NR1H4, NR1D1, NR1I2 MAPT 3886/4885POLB 2514/4885L3MBTL1 905/4885

“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.

Send feedback