SCHEMBL13775372

SCHEMBL13775372

CCOC(=O)[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
VCAM1 P19320 1/20 0.43
MEN1 O00255 2/20 0.42
ACHE P22303 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
POLB P06746 2/20 0.40
CTSB P07858 1/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 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
SCHEMBL4112204 0.85 KMT2A (0.47) KMT2AALDH1A1MAPTCYP2C19KDM4E
SCHEMBL4123217 0.85 KMT2A (0.47) KMT2AALDH1A1MAPTCYP2C19KDM4E
SCHEMBL13775371 0.81 KMT2A (0.61) KMT2AALDH1A1MAPTCYP2C19KDM4E
SCHEMBL7750057 0.78 KMT2A (0.56) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL2825482 0.76 KMT2A (0.56) KMT2AALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL15362366 0.76 KMT2A (0.40) KMT2AALDH1A1MAPTCYP2C19KDM4E
SCHEMBL22042521 0.75 MEN1 (0.46) KMT2AALDH1A1MAPTCYP2C19CYP2D6
SCHEMBL15488654 0.75 KMT2A (0.57) KMT2AALDH1A1MAPTCYP2C19KDM4E
SCHEMBL22042598 0.74 KMT2A (0.48) KMT2AALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL31092647 0.74 KMT2A (0.48) KMT2AALDH1A1MAPTPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR KMT2A 1467/4885ALDH1A1 1587/4885MAPT 4428/4885

“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.