SCHEMBL3494568

SCHEMBL3494568

CCOc1nc(C(=O)N2CCN(C(=O)O)C[C@H]2CS(=O)(=O)c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA4 P22748 7/20 0.34
CA9 Q16790 7/20 0.34
CCKAR P32238 4/20 0.33
MAT2A P31153 1/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL13341024 0.91 NR1H2 (0.38)
SCHEMBL3495634 0.85 ALDH1A1 (0.34) KMT2ACCKARMAT2A
SCHEMBL3495015 0.84 NR1H2 (0.48) CA1CA2CA4CA9
SCHEMBL3493284 0.84 TP53 (0.34) CCKARMAT2AUSP2
SCHEMBL3493409 0.78 CCKAR (0.37) CA1CA2CA4CA9CCKAR
SCHEMBL8229917 0.77 NR1H2 (0.57) CA1CA2CA4CA9
SCHEMBL13340903 0.76 CKS1B (0.38) KMT2A
SCHEMBL13341021 0.75 CKS1B (0.37) THRB
SCHEMBL3495135 0.72 MAT2A (0.49) KMT2AMAT2AUSP2
SCHEMBL3493459 0.72 CA1 (0.45) CA1CA2CA4CA9

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 KMT2A 952/4885CA1 2606/4885CA2 1023/4885

“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.