SCHEMBL16367382

SCHEMBL16367382

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 2/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
LMNA P02545 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
AKR1C3 P42330 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA2 P00918 1/20 0.39

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
SCHEMBL16367405 0.87 TSHR (0.44) TSHRALDH1A1IDO1MEN1KMT2A
SCHEMBL2240871 0.85 IDO1 (0.42) TSHRIDO1MEN1KMT2ALOXL2
SCHEMBL27938283 0.84 MEN1 (0.44) IDO1MEN1KMT2ALOXL2LMNA
SCHEMBL16367398 0.83 ACHE (0.49) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL15118477 0.82 CYP19A1 (0.41) TSHRIDO1MEN1KMT2ALOXL2
SCHEMBL16367370 0.81 PTGS2 (0.42) ALDH1A1MEN1KMT2ALMNACYP2C19
SCHEMBL2545363 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACA2
SCHEMBL16367407 0.79 MAOB (0.39) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL9906222 0.78 TSHR (0.50) TSHRALDH1A1IDO1ADRB2ADRB1
SCHEMBL10621456 0.77 LMNA (0.50) TSHRALDH1A1IDO1MEN1KMT2A

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 POLB 1684/4885TSHR 1808/4885ALDH1A1 140/4885

“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.