SCHEMBL13261809

SCHEMBL13261809

CCOC(=O)C(C(=O)c1ccc(CS(=O)O)cc1)c1ccc(OC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.36
▸ ELANE P08246 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ESR1 P03372 3/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ AR P10275 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ MMP8 P22894 1/20 0.34
▸ HIF1A Q16665 2/20 0.34

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
SCHEMBL13261548 0.88 TSHR (0.42) LMNAL3MBTL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL13261549 0.88 CA12 (0.43) KMT2ALMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL13261834 0.87 MMP8 (0.38) KMT2ALMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL13261547 0.86 POLB (0.40) KMT2ALMNAL3MBTL1
SCHEMBL13261557 0.85 SMN1; SMN2 (0.43) KMT2ALMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13261650 0.85 EPHX2 (0.41) KMT2ALMNAKDM4EALDH1A1SLC6A3
SCHEMBL13261655 0.85 MMP8 (0.39) KMT2ALMNAKDM4EALDH1A1HSD17B10
SCHEMBL13228109 0.84 LMNA (0.54) KMT2ALMNAELANEL3MBTL1NPC1
SCHEMBL13261591 0.82 NAMPT (0.39) KMT2ALMNAL3MBTL1KDM4EALDH1A1
SCHEMBL13261550 0.81 MMP8 (0.35) LMNASMN1; SMN2KDM4EHSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781592-B2 Thione derivative, method for the preparation thereof, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2010-08-24 — — US disclosed
US-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same CJC CORPORATION (KR) 2008-04-17 — — US 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-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same TPMT, TST, CYP3A5 KMT2A 3602/4885LMNA 4506/4885ELANE 1830/4885

“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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