SCHEMBL17540887

SCHEMBL17540887

COC(OC(=O)[C@@H](N)CS)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CYP1A2 P05177 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.37
CTSD P07339 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ABCC4 O15439 1/20 0.36
CACNA1F O60840 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
ABCB1 P08183 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CNR1 P21554 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
SCHEMBL7383362 0.78 ALDH1A1 (0.60) ALDH1A1CYP1A2TSHRTDP1NPSR1
SCHEMBL6358026 0.77 KIF11 (0.44) ALDH1A1CYP1A2TSHRNPSR1SMN1; SMN2
SCHEMBL9068341 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A2TDP1CTSDMAPT
SCHEMBL2780596 0.74 MAOB (0.47) ALDH1A1TSHRCTSDMAPTPOLB
SCHEMBL7897984 0.74 MAOB (0.47) ALDH1A1TSHRCTSDMAPTPOLB
SCHEMBL27918543 0.72 ALDH1A1 (0.58) ALDH1A1CYP1A2TSHRTDP1NPSR1
SCHEMBL19193989 0.70 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRMAPTSMN1; SMN2
SCHEMBL29966092 0.70 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRGRM8GRM4
SCHEMBL14436535 0.70 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRTDP1CTSD
SCHEMBL12232403 0.70 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRTDP1CTSD

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-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-09-21 US disclosed
WO-2016029307-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-03 WO 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-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME PASK, PAM, PTMS ALDH1A1 4606/4885CYP1A2 4073/4885TSHR 1350/4885

“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.