SCHEMBL16367298

SCHEMBL16367298

CS(=O)(=O)OCC(O)C(O)Cn1cncc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
ATM Q13315 1/20 0.35
CHRM1 P11229 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 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
SCHEMBL16367340 0.89 CHRM1 (0.36) MAPK1ATMCHRM1CA12CA1
SCHEMBL15607811 0.84 EGFR (0.36) MAPK1ATMCHRM1CA12CA1
SCHEMBL16367302 0.82 POLB (0.36) MAPK1ATMCA12CA1CA2
SCHEMBL16367308 0.81 ALDH1A1 (0.31) MAPK1ATMALDH1A1RAB9ASMN1; SMN2
SCHEMBL16367384 0.80 MAPK1 (0.40) MAPK1ATMCHRM1ALDH1A1RAB9A
SCHEMBL15607837 0.79 TK1 (0.32) MAPK1ATM
SCHEMBL15607866 0.79 MAPK1 (0.38) MAPK1ATMCHRM1ALDH1A1RAB9A
SCHEMBL16367322 0.79 MAPK1 (0.38) MAPK1ATMCHRM1ALDH1A1RAB9A
SCHEMBL16367351 0.79 MAPK1 (0.38) MAPK1ATMCHRM1ALDH1A1RAB9A
SCHEMBL16367326 0.77 MAPK1 (0.61) MAPK1ATMCHRM1CA12CA1

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 MAPK1 3155/4885ATM 4802/4885CHRM1 3336/4885

“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.