SCHEMBL19651915

SCHEMBL19651915

CCCCN1c2ccccc2SC1/C=C/C=C1/Sc2ccccc2N1CCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 3/20 0.48
▸ HPGD P15428 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ MEN1 O00255 11/20 0.45
▸ KMT2A Q03164 11/20 0.45
▸ MAPT P10636 11/20 0.45
▸ POLB P06746 5/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ ALOX15 P16050 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ ALOX12 P18054 3/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.40

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
SCHEMBL19657526 0.95 HPGD (0.46) PDFHPGDKDM4EL3MBTL1CYP2C9
SCHEMBL3932621 0.80 PDF (0.48) PDFHPGDKDM4EL3MBTL1CYP2C9
SCHEMBL10036144 0.77 MAPT (0.41) KDM4EL3MBTL1MEN1KMT2AMAPT
SCHEMBL1506902 0.76 MEN1 (0.50) PDFHPGDKDM4EL3MBTL1MEN1
SCHEMBL15601772 0.75 MAPT (0.35) PDFHPGDKDM4EL3MBTL1CYP2C9
SCHEMBL16640286 0.74 MAPT (0.34) PDFHPGDKDM4EL3MBTL1CYP2C9
SCHEMBL3935749 0.72 MEN1 (0.42) PDFHPGDKDM4EL3MBTL1MEN1
SCHEMBL28574750 0.72 MEN1 (0.49) HPGDKDM4EL3MBTL1MEN1KMT2A
SCHEMBL15186179 0.72 MEN1 (0.49) HPGDKDM4EL3MBTL1MEN1KMT2A
SCHEMBL17928441 0.72 MEN1 (0.49) HPGDKDM4EL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340622-A1 METHOD OF DETECTING CANCER STEM CELL, METHOD OF SCREENING CANCER STEM CELL, AND METHOD OF INHIBITING CANCER STEM CELL CANON KK (JP) 2017-11-30 — — 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-20170340622-A1 METHOD OF DETECTING CANCER STEM CELL, METHOD OF SCREENING CANCER STEM CELL, AND METHOD OF INHIBITING CANCER STEM CELL MKI67, KIT, ALDH1A1 PDF 4485/4885HPGD 1942/4885KDM4E 2899/4885

“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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