SCHEMBL2808808

SCHEMBL2808808

CN(CCCCCCCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NRP1 O14786 1/20 0.40
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
THRB P10828 1/20 0.37
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F13A1 P00488 1/20 0.36
TGM1 P22735 1/20 0.36

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
SCHEMBL2808807 1.00 ALDH1A1 (0.41) ALDH1A1TSHRNRP1MMP2MMP9
SCHEMBL13128306 0.92 L3MBTL1 (0.42) ALDH1A1TSHRMMP2MMP9CA1
SCHEMBL2807798 0.85 ALDH1A1 (0.33) ALDH1A1TSHRNRP1
SCHEMBL2807794 0.85 ALDH1A1 (0.33) ALDH1A1TSHRNRP1
SCHEMBL2807797 0.85 ALDH1A1 (0.33) ALDH1A1TSHRNRP1
SCHEMBL2812796 0.84 MMP2 (0.47) NRP1MMP2MMP9CA1CA2
SCHEMBL2812800 0.84 MMP2 (0.47) NRP1MMP2MMP9CA1CA2
SCHEMBL25352953 0.83 MMP2 (0.50) ALDH1A1TSHRMMP2MMP9CA1
SCHEMBL25352949 0.83 MMP2 (0.50) ALDH1A1TSHRMMP2MMP9CA1
SCHEMBL25354041 0.82 MMP2 (0.46) ALDH1A1TSHRNRP1MMP2MMP9

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 ALDH1A1 302/4885TSHR 4756/4885NRP1 3527/4885

“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.