SCHEMBL4472758

SCHEMBL4472758

CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc3c(O)cccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
CYP19A1 P11511 2/20 0.48
SLC2A1 P11166 1/20 0.47
NAMPT P43490 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
HSD17B2 P37059 2/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
UQCRB P14927 1/20 0.44
PSD A5PKW4 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
LMNA P02545 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL4476668 0.88 CYP19A1 (0.60) ALDH1A1HPGDPOLBCYP19A1NAMPT
SCHEMBL4493195 0.86 NSD2 (0.52) HDAC3HDAC8HDAC6ALDH1A1HPGD
SCHEMBL4472784 0.85 CYP19A1 (0.62) HDAC8HDAC6ALDH1A1HPGDPOLB
SCHEMBL4480386 0.84 CASP6 (0.58) HDAC3HDAC8HDAC6ALDH1A1HPGD
SCHEMBL4472720 0.83 HDAC3 (0.51) HDAC3HDAC8HDAC6ALDH1A1HPGD
SCHEMBL4491082 0.79 NSD2 (0.57) HDAC3HDAC8HDAC6PSD
SCHEMBL4478227 0.79 CYP19A1 (0.61) POLBCYP19A1CA1CA2
SCHEMBL4480958 0.76 CYP19A1 (0.66) ALDH1A1POLBCYP19A1CA1CA2
SCHEMBL4478162 0.76 CA2 (0.56) ALDH1A1POLBCYP19A1CA1CA2
SCHEMBL4481323 0.76 HDAC3 (0.55) HDAC3HDAC8HDAC6ALDH1A1HPGD

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 HDAC3 16/4885HDAC8 36/4885HDAC6 87/4885

“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.