SCHEMBL7268296

SCHEMBL7268296

N#Cc1ccc(Oc2ccc(S(=O)(=O)O)cc2)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.51
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.43
SLC22A12 Q96S37 5/20 0.43
AR P10275 3/20 0.42
PLA2G7 Q13093 4/20 0.41
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6424091 0.87 CYP19A1 (0.50) PDE4BCYP19A1ALDH1A1HPGDNPSR1
SCHEMBL6425726 0.87 CYP19A1 (0.50) PDE4BCYP19A1ALDH1A1HPGDNPSR1
SCHEMBL20510862 0.84 EPAS1 (0.50) PDE4BCYP19A1ALDH1A1HPGDNPSR1
SCHEMBL28479413 0.84 PLA2G7 (0.43) PDE4BCYP19A1SLC22A12PLA2G7
SCHEMBL9472016 0.82 CYP19A1 (0.62) PDE4BCYP19A1ALDH1A1HPGDNPSR1
SCHEMBL1377229 0.82 CYP19A1 (0.62) PDE4BCYP19A1ALDH1A1HPGDNPSR1
SCHEMBL1305863 0.81 ALDH1A1 (0.43) ALDH1A1HPGDSLC22A12MAOBLMNA
SCHEMBL4581525 0.80 CYP19A1 (0.65) PDE4BCYP19A1ALDH1A1HPGDNPSR1
SCHEMBL29390509 0.80 CYP19A1 (0.65) PDE4BCYP19A1ALDH1A1HPGDNPSR1
SCHEMBL16290479 0.79 ALDH1A1 (0.42) ALDH1A1HPGDSLC22A12LMNATSHR

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-20030134824-A1 Beta-cyclodextrin dimers and phthalocyanines and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-07-17 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-20030134824-A1 Beta-cyclodextrin dimers and phthalocyanines and uses thereof CRY2, CRY1, HCCS PDE4B 2351/4885CYP19A1 3336/4885ALDH1A1 2009/4885

“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.