SCHEMBL2807794

SCHEMBL2807794

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NRP1 O14786 1/20 0.33

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
SCHEMBL2807798 1.00 ALDH1A1 (0.33) ALDH1A1TSHRNRP1
SCHEMBL2807797 1.00 ALDH1A1 (0.33) ALDH1A1TSHRNRP1
SCHEMBL13128311 0.93 L3MBTL1 (0.33)
SCHEMBL2806461 0.85 NRP1 (0.37) NRP1
SCHEMBL2806462 0.85 NRP1 (0.37) NRP1
SCHEMBL2806465 0.85 NRP1 (0.37) NRP1
SCHEMBL2808807 0.85 ALDH1A1 (0.41) ALDH1A1TSHRNRP1
SCHEMBL2808808 0.85 ALDH1A1 (0.41) ALDH1A1TSHRNRP1
SCHEMBL13128313 0.79 L3MBTL1 (0.36) NRP1
SCHEMBL13128318 0.78

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.