SCHEMBL2806462

SCHEMBL2806462

C=C[C@@H]1C[C@@]1(N)C(=O)NS(=O)(=O)N(C)CCCCCCCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
F13A1 P00488 1/20 0.34
TGM1 P22735 1/20 0.34
CPB2 Q96IY4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
HDAC1 Q13547 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TBXA2R P21731 3/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL2806465 1.00 NRP1 (0.37) NRP1MMP2MMP9F13A1TGM1
SCHEMBL2806461 1.00 NRP1 (0.37) NRP1MMP2MMP9F13A1TGM1
SCHEMBL13128313 0.92 L3MBTL1 (0.36) NRP1MMP2MMP9F13A1TGM1
SCHEMBL2807798 0.85 ALDH1A1 (0.33) NRP1
SCHEMBL2807794 0.85 ALDH1A1 (0.33) NRP1
SCHEMBL2807797 0.85 ALDH1A1 (0.33) NRP1
SCHEMBL2812800 0.79 MMP2 (0.47) NRP1MMP2MMP9F13A1TGM1
SCHEMBL2812796 0.79 MMP2 (0.47) NRP1MMP2MMP9F13A1TGM1
SCHEMBL2808808 0.78 ALDH1A1 (0.41) NRP1MMP2MMP9F13A1TGM1
SCHEMBL2808807 0.78 ALDH1A1 (0.41) NRP1MMP2MMP9F13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 NRP1 3527/4885MMP2 161/4885MMP9 224/4885

“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.