SCHEMBL2098099

SCHEMBL2098099

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.33
ACLY P53396 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CXCR2 P25025 1/20 0.32
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ACP3 P15309 1/20 0.30
LMNA P02545 1/20 0.30
NCEH1 Q6PIU2 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 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
SCHEMBL3060213 0.90 ITGA4 (0.32) ITGA4ACLYPSEN1PSEN2APH1B
SCHEMBL2098758 0.88 C5AR1 (0.35) ITGA4ACLYPSEN1PSEN2APH1B
SCHEMBL2098604 0.86 ACP3 (0.33) ITGA4PSEN1PSEN2APH1BNCSTN
SCHEMBL2099735 0.86 POLB (0.41) KDM4EPOLBTP53MAPTMEN1
SCHEMBL2098705 0.85 CYP1A2 (0.33) ITGA4KDM4ETP53MAPTACP3
SCHEMBL3068176 0.85 HPGD (0.40) KDM4ESMN1; SMN2POLBTP53MAPT
SCHEMBL2098828 0.85 ACP3 (0.32) ITGA4ACP3KCNJ11
SCHEMBL2098368 0.83 PDE4D (0.36) ACLYSMN1; SMN2MAPTLMNAMEN1
SCHEMBL2099333 0.82 ACP3 (0.33) ITGA4ACP3
SCHEMBL3060485 0.82 SLC22A12 (0.33) ITGA4KDM4EMAPTACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
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 ITGA4 3395/4885ACLY 633/4885PSEN1 2286/4885

“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.