SCHEMBL6887532

SCHEMBL6887532

COc1cc(O)c(C=CC=C2SC(=S)N(CC(=O)O)C2=O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.57
AKR1B1 P15121 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
PTPN1 P18031 1/20 0.49
PDE4B Q07343 1/20 0.48
POLB P06746 1/20 0.47
USP2 O75604 2/20 0.46
MCOLN3 Q8TDD5 2/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
CASP6 P55212 1/20 0.46

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
SCHEMBL6886498 0.84 TAS2R14 (0.77) TAS2R14AKR1B1MEN1KMT2AMAPT
SCHEMBL6885662 0.84 AKR1B1 (0.60) TAS2R14AKR1B1MEN1KMT2AMAPT
SCHEMBL13005078 0.83 TAS2R14 (0.80) TAS2R14AKR1B1MEN1KMT2APTPN1
SCHEMBL6885996 0.78 AKR1B1 (0.57) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL6881090 0.75 KMT2A (0.65) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL6886500 0.75 KMT2A (0.65) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL6885986 0.75 AKR1B1 (0.64) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL6884509 0.74 FABP4 (0.65) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL6887177 0.73 MAPT (0.72) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL1279150 0.73 TAS2R14 (1.00) TAS2R14MEN1KMT2AMAPTALDH1A1

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 TAS2R14 3145/4885AKR1B1 417/4885MEN1 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.