SCHEMBL3502256

SCHEMBL3502256

CC(C(=O)O)c1coc2cc(N(Cc3cccc4c3N(Cc3ccccc3)CCC4)S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL3502251 1.00 NLRP3 (0.36) NLRP3KMT2AMEN1TDP1NPSR1
SCHEMBL4410503 0.88 NLRP3 (0.36) NLRP3KMT2AMEN1TDP1NPSR1
SCHEMBL4410501 0.88 NLRP3 (0.36) NLRP3KMT2AMEN1TDP1NPSR1
SCHEMBL3503152 0.75 PTGER4 (0.39) PTGER4PTGER2
SCHEMBL3632754 0.71 FFAR1 (0.39) PTPN22
SCHEMBL3632751 0.71 FFAR1 (0.39) PTPN22
SCHEMBL3629045 0.70 PTPN22 (0.32) KMT2AMEN1NPSR1ALDH1A1PTPN22
SCHEMBL3629043 0.70 PTPN22 (0.32) KMT2AMEN1NPSR1ALDH1A1PTPN22
SCHEMBL3627665 0.70 FFAR1 (0.37) KMT2AMEN1NPSR1PTPN22
SCHEMBL3627662 0.69 FFAR1 (0.42) KMT2AMEN1NPSR1ALDH1A1PTPN22

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 NLRP3 576/4885KMT2A 3440/4885MEN1 3086/4885

“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.