SCHEMBL3060485

SCHEMBL3060485

CCC(CC)(N(c1c(C#N)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACP3 P15309 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ITGA4 P13612 1/20 0.31
AR P10275 1/20 0.30
APAF1 O14727 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2099333 0.91 ACP3 (0.33) ACP3ITGA4
SCHEMBL2099271 0.88 PTPN1 (0.38) ITGA4
SCHEMBL2098823 0.87 ITGA4 (0.31) ITGA4
SCHEMBL2098604 0.87 ACP3 (0.33) ACP3ALDH1A1HSP90AA1HSP90AB1ITGA4
SCHEMBL2098705 0.86 CYP1A2 (0.33) ACP3KDM4EALDH1A1ITGA4MAPT
SCHEMBL2098828 0.85 ACP3 (0.32) ACP3ITGA4
SCHEMBL2098368 0.84 PDE4D (0.36) ALDH1A1MAPT
SCHEMBL3060213 0.83 ITGA4 (0.32) ACP3KDM4EITGA4MAPTHTT
SCHEMBL2098099 0.82 ITGA4 (0.33) ACP3KDM4EITGA4MAPT
SCHEMBL2098758 0.81 C5AR1 (0.35) ACP3ALDH1A1ITGA4MAPTHTT

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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 SLC22A12 1912/4885CA1 3138/4885CA2 1922/4885

“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.