SCHEMBL516788

SCHEMBL516788

O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 7/20 0.56
TBXA2R P21731 2/20 0.52
PTGIR P43119 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MMP12 P39900 2/20 0.47
MMP13 P45452 2/20 0.47
HSD11B1 P28845 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL15792614 0.83 PTGDR (0.54) PTGDRTBXA2RPTGIRSMN1; SMN2HTT
SCHEMBL6483025 0.75 ALDH1A1 (0.41) SMN1; SMN2HTTALDH1A1HPGDMEN1
SCHEMBL13538399 0.75 PSEN1 (0.61) TBXA2RALDH1A1KMT2AMMP13MMP8
SCHEMBL23613809 0.74 MMP12 (0.60) SMN1; SMN2HTTALDH1A1HPGDMEN1
SCHEMBL15896281 0.74 MMP12 (0.60) SMN1; SMN2HTTALDH1A1HPGDMEN1
SCHEMBL28714130 0.73 PSEN1 (0.51) PTGDRTBXA2RPTGIRHTTMEN1
SCHEMBL6858450 0.72 UCHL1 (0.50) PTGDRSMN1; SMN2HTTALDH1A1HPGD
SCHEMBL30807175 0.72 PARG (0.52) SMN1; SMN2HTTALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL6580187 0.71 SMN1; SMN2 (0.47) PTGDRTBXA2RPTGIRSMN1; SMN2HTT
SCHEMBL9094331 0.70 CYP1A2 (0.49) ALDH1A1MEN1KMT2ATP53HSD11B1

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-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 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-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY PTGDR 4481/4885TBXA2R 2202/4885PTGIR 2559/4885

“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.