SCHEMBL8526974

SCHEMBL8526974

[CH2]CNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.64
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
MMP1 P03956 1/20 0.63
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP13 P45452 1/20 0.63
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
THRB P10828 1/20 0.54
CA12 O43570 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL4389696 0.86 KMT2A (0.71) CYP19A1CA1CA2MMP1MMP2
SCHEMBL30649118 0.86 KMT2A (0.71) CYP19A1CA1CA2MMP1MMP2
SCHEMBL29571128 0.83 KMT2A (0.68) CYP19A1CA1CA2MMP1MMP2
SCHEMBL29658814 0.83 ALDH1A1 (0.65) CYP19A1CA1CA2MMP1MMP2
SCHEMBL31284709 0.83 KMT2A (0.68) CYP19A1CA1CA2MMP1MMP2
SCHEMBL2126962 0.83 ALDH1A1 (0.65) CYP19A1CA1CA2MMP1MMP2
SCHEMBL27006685 0.83 KMT2A (0.68) CYP19A1CA1CA2MMP1MMP2
SCHEMBL357662 0.83 CYP19A1 (0.59) CYP19A1CA1CA2MMP1MMP2
SCHEMBL4362943 0.82 KMT2A (0.66) CYP19A1CA1CA2MMP1MMP2
SCHEMBL29570715 0.82 KMT2A (0.66) CYP19A1CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897970-B1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-07-13 EP claimed
US-20150210729-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2015-07-30 US claimed
EP-2897970-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2015-07-29 EP claimed
WO-2014044645-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-03-27 WO claimed
EP-2897970-B1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-07-13 EP disclosed
US-20150210729-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2015-07-30 US disclosed
EP-2897970-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2015-07-29 EP disclosed
WO-2014044645-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-03-27 WO disclosed
WO-1999021869-A1 ERYTHROMYCIN A, 11,12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 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 (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-20150210729-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PCSK9, CYP51A1, ABCB11 CYP19A1 228/4885CA1 4861/4885CA2 4825/4885

“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.