SCHEMBL2522181

SCHEMBL2522181

Cc1c(CC(=O)O)c(=O)oc2cccc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
SLC26A3 P40879 4/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.43
MTOR P42345 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7121835 0.89 KDM4E (0.40) TP53SLC26A3PTGDR2CA12CA9
SCHEMBL5085076 0.84 TP53 (0.51) TP53SLC26A3PTGDR2CA12CA9
SCHEMBL29579782 0.79 PSMB8 (0.45) TP53SLC26A3PTGDR2CA12CA9
SCHEMBL307859 0.78 CA12 (0.60) TP53CA12CA9POLBMEN1
SCHEMBL30772200 0.77 PTGDR2 (0.46) TP53SLC26A3PTGDR2CA12CA9
SCHEMBL17157529 0.75 KMT2A (0.45) TP53SLC26A3PTGDR2CA12CA9
SCHEMBL6578104 0.75 CA12 (0.49) CA12CA9POLBMAPTKDM4E
SCHEMBL29111160 0.74 MAPT (0.50) TP53SLC26A3PTGDR2CA12CA9
SCHEMBL29752815 0.73 SRC (0.64) CA12CA9POLBMEN1NPC1
SCHEMBL17088977 0.73 KDM4E (0.60) TP53CA12CA9POLBMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111675761-B Purpurin-4 binding proteins and methods of use thereof 艾更斯司股份有限公司 2023-10-20 CN disclosed
CN-114578038-A Computer process after AQUA enhanced version 诺华股份有限公司 2022-06-03 CN disclosed
WO-2017182580-A1 METHODS FOR THE DIAGNOSIS AND THE TREATMENT OF REPRODUCTION-RELATED DISORDERS AND METHODS FOR CONTRACEPTION INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-10-26 WO disclosed
US-8039648-B2 Compounds used as dyes comperable to Alexa Fluor 350 dyes PIERCE BIOTECHNOLOGY, INC. (US) 2011-10-18 US disclosed
US-20100317045-A1 COMPOUNDS USED AS DYES COMPERABLE TO ALEXA FLUOR 350 DYES PIERCE BIOTECHNOLOGY, INC. (US) 2010-12-16 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-20100317045-A1 COMPOUNDS USED AS DYES COMPERABLE TO ALEXA FLUOR 350 DYES ACR, RO60, ARF5 TP53 181/4885SLC26A3 3421/4885PTGDR2 4518/4885

“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.