SCHEMBL4489568

SCHEMBL4489568

O=S(=O)(NCCc1ccccc1)c1ccc2c(O)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 6/20 0.56
PRMT1 Q99873 2/20 0.56
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
MAPT P10636 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.52
TPSAB1 Q15661 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL4472784 0.87 CYP19A1 (0.62) ALDH1A1HDAC2HDAC8HDAC6CA1
SCHEMBL9927443 0.82 TPSAB1 (0.67) AKR1C3HSD17B10ALDH1A1PRMT1TAAR1
SCHEMBL15682724 0.81 HSD17B10 (0.66) AKR1C3HSD17B10ALDH1A1PRMT1HDAC2
SCHEMBL4471119 0.80 AKR1C3 (0.53) AKR1C3ALDH1A1PRMT1HDAC2HDAC8
SCHEMBL4478227 0.78 CYP19A1 (0.61) PRMT1CA1CA2POLB
SCHEMBL11518100 0.77 ALDH1A1 (0.64) AKR1C3HSD17B10ALDH1A1PRMT1TAAR1
SCHEMBL4478162 0.77 CA2 (0.56) HSD17B10ALDH1A1CA1CA2KMT2A
SCHEMBL4482436 0.77 CYP2C9 (0.57) AKR1C3HSD17B10ALDH1A1HDAC2HDAC8
SCHEMBL2916059 0.76 PRMT1 (0.71) AKR1C3HSD17B10ALDH1A1PRMT1TAAR1
SCHEMBL4470111 0.76 NSD2 (0.71) AKR1C3HSD17B10ALDH1A1PRMT1MAPT

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-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US claimed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 US claimed
US-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US disclosed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 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-20050215645-A1 Amide derivatives OGG1, HDAC1, BCL2A1 AKR1C3 1622/4885HSD17B10 2044/4885ALDH1A1 1461/4885

“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.