SCHEMBL13698907

SCHEMBL13698907

COC(=O)NC[C@H]1CC[C@H](C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 3/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35

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
SCHEMBL7904682 0.92 TDP1 (0.54) TDP1KMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL8290413 0.92
SCHEMBL15822316 0.84 TDP1 (0.47) TDP1KMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL8393651 0.83 EPHX1 (0.48) TDP1KMT2AMEN1EPHX1CA12
SCHEMBL8395344 0.83 EPHX1 (0.53) TDP1KMT2AMEN1EPHX1CA12
SCHEMBL8261090 0.82 TDP1 (0.41) TDP1KMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL12203722 0.82 KMT2A (0.51) TDP1KMT2AEPHX1
SCHEMBL13007296 0.82 KMT2A (0.51) TDP1KMT2AEPHX1
SCHEMBL8257078 0.82 TDP1 (0.41) TDP1KMT2ASMN1; SMN2EPHX1CYP3A4
SCHEMBL21162002 0.82 PKM (0.36) TDP1KMT2AMEN1SMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 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 (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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 TDP1 1993/4885KMT2A 2981/4885MEN1 2831/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO TDP1 2359/4885KMT2A 4156/4885MEN1 4779/4885

“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.