SCHEMBL3497696

SCHEMBL3497696

CC(=O)N1CCc2cc(N)c(S(=O)(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.52
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TRIM24 O15164 1/20 0.44
PKM P14618 1/20 0.44
IDO1 P14902 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
SCHEMBL13059953 0.84 NOTUM (0.57) NOTUMMAPK1MEN1KMT2AALDH1A1
SCHEMBL5332602 0.83 ACLY (0.53) NOTUMMAPK1MEN1KMT2ATRIM24
SCHEMBL3492186 0.80 NOTUM (0.49) NOTUMMAPK1MEN1KMT2AALDH1A1
SCHEMBL13347826 0.80 NOTUM (0.49) NOTUMMAPK1MEN1KMT2AALDH1A1
SCHEMBL14058949 0.77 ACLY (0.53) NOTUMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7140297 0.76 NOTUM (0.54) NOTUMALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL21469178 0.76 NOTUM (0.54) NOTUMKMT2AALDH1A1SMN1; SMN2TRIM24
SCHEMBL32673770 0.76 NOTUM (0.54) NOTUMALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL4808175 0.76 NOTUM (0.67) NOTUMMAPK1MEN1KMT2AALDH1A1
SCHEMBL20939536 0.75 NOTUM (0.57) NOTUMALDH1A1SMN1; SMN2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851606-B2 Negatively charged minor groove binders ELITECH HOLDING B.V. (NL) 2010-12-14 US disclosed
US-7851606-B2 Negatively charged minor groove binders ELITECH HOLDING B.V. (NL) 2010-12-14 US disclosed
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
US-7582739-B2 Negatively charged minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-09-01 US disclosed
US-7582739-B2 Negatively charged minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-09-01 US disclosed
US-20050187383-A1 Negatively charged minor groove binders LUKHTANOV, EUGENE 2005-08-25 US disclosed
WO-2003078450-A2 NEGATIVELY CHARGED MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2003-09-25 WO 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 (2 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-20050187383-A1 Negatively charged minor groove binders PCNA, NCL, HNRNPH3 NOTUM 2268/4885MAPK1 4861/4885MEN1 4719/4885
US-20100137614-A1 NEGATIVELY CHARGED MINOR GROOVE BINDERS PCNA, NCL, HNRNPH3 NOTUM 2268/4885MAPK1 4861/4885MEN1 4719/4885

“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.