SCHEMBL4470624

SCHEMBL4470624

CC(=O)Oc1cccc2cc(S(=O)(=O)NCC3CCCCC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 3/20 0.49
ACACB O00763 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NPY5R Q15761 2/20 0.46
NPY1R P25929 1/20 0.43
LMNA P02545 1/20 0.43
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL4475298 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2AACACBHDAC3
SCHEMBL4482883 0.81 CYP19A1 (0.53) SMN1; SMN2ALDH1A1KMT2AHDAC2HDAC8
SCHEMBL4483653 0.77 CYP19A1 (0.53) SMN1; SMN2LMNA
SCHEMBL4471119 0.77 AKR1C3 (0.53) ALDH1A1KMT2AHDAC2HDAC8HDAC6
SCHEMBL4479458 0.77 CA2 (0.45) ALDH1A1KMT2A
SCHEMBL4472720 0.76 HDAC3 (0.51) ALDH1A1HDAC3HDAC8HDAC6LMNA
SCHEMBL4477096 0.76 POLB (0.39) ALDH1A1MCL1
SCHEMBL23052424 0.76 NPY5R (0.69) SMN1; SMN2ALDH1A1KMT2AACACBHDAC3
SCHEMBL4465917 0.76 CYP19A1 (0.52) SMN1; SMN2ALDH1A1LMNACNR1
SCHEMBL4490023 0.75 CYP19A1 (0.57) SMN1; SMN2ALDH1A1KMT2ALMNA

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 SMN1; SMN2 2959/4885ALDH1A1 1461/4885KMT2A 1012/4885

“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.