SCHEMBL6886579

SCHEMBL6886579

O=C(O)CN1C(=O)C(Cc2cccs2)SC1=S

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL10876565 0.81 POLB (0.48) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6886007 0.77 MCL1 (0.45) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10880531 0.76 KMT2A (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AGSK3A
SCHEMBL6881123 0.75 MCL1 (0.48) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6883806 0.74 CFTR (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6885656 0.73 MEN1 (0.39) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6886560 0.72 MCL1 (0.46) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6879143 0.72 MCL1 (0.41) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6881119 0.72 MCL1 (0.53) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6885638 0.72 CYP1A2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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 3886/4885HSD17B10 340/4885L3MBTL1 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.

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