SCHEMBL16367405

SCHEMBL16367405

CS(=O)(=O)OCC(O)C(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 2/20 0.40
LMNA P02545 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
AKR1C3 P42330 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA2 P00918 2/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL16367382 0.87 POLB (0.48) TSHRMEN1KMT2AIDO1LMNA
SCHEMBL2240871 0.84 IDO1 (0.42) TSHRMEN1KMT2AIDO1LMNA
SCHEMBL16367399 0.83 ACHE (0.48) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL27938283 0.83 MEN1 (0.44) MEN1KMT2AIDO1LMNAKCNJ1
SCHEMBL15118477 0.81 CYP19A1 (0.41) TSHRMEN1KMT2AIDO1KCNJ1
SCHEMBL16367370 0.80 PTGS2 (0.42) MEN1KMT2ALMNAALDH1A1CA2
SCHEMBL2545363 0.78 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL16367407 0.78 MAOB (0.39) MEN1KMT2ALMNAALDH1A1CA2
SCHEMBL16367406 0.77 TSHR (0.49) TSHRMEN1KMT2AIDO1LMNA
SCHEMBL15610778 0.76 TSHR (0.50) TSHRMEN1KMT2AIDO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB TSHR 1808/4885MEN1 2288/4885KMT2A 2366/4885

“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.