SCHEMBL6888297

SCHEMBL6888297

CC(C)(C)c1ccc(C=CC=C2SC(=S)N(CCC(=O)O)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ AKR1B1 P15121 1/20 0.59
▸ MAPK1 P28482 1/20 0.56
▸ CISD1 Q9NZ45 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ NCOA3 Q9Y6Q9 2/20 0.55
▸ POLB P06746 3/20 0.55
▸ BLM P54132 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ RAB9A P51151 3/20 0.53
▸ MITF O75030 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ ALPL P05186 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ APEX1 P27695 1/20 0.53

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
SCHEMBL15400060 0.87 CISD1 (0.74) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL12008437 0.87 CISD1 (0.74) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL15400058 0.87 CISD1 (0.74) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6881113 0.85 MAPT (0.77) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6886335 0.85 MAPT (0.68) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6887657 0.82 MAPT (0.56) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6881114 0.82 MAPT (0.58) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6881118 0.82 MAPT (0.58) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6887875 0.82 AKR1B1 (0.56) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6886610 0.81 FABP4 (0.57) MAPTKMT2AMEN1NPC1ALDH1A1

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 3886/4885KMT2A 1995/4885MEN1 838/4885

“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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