SCHEMBL2098604

SCHEMBL2098604

CCC(CC)(N(c1c(Cl)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
ACP3 P15309 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ITGA4 P13612 1/20 0.33
S1PR1 P21453 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2098705 0.91 CYP1A2 (0.33) ACP3ALDH1A1ITGA4S1PR1LMNA
SCHEMBL2098828 0.90 ACP3 (0.32) ACP3ITGA4S1PR1KCNJ11
SCHEMBL2098368 0.88 PDE4D (0.36) ALDH1A1LMNAMAPT
SCHEMBL2099333 0.87 ACP3 (0.33) ACP3ITGA4
SCHEMBL3060485 0.87 SLC22A12 (0.33) ACP3ALDH1A1ITGA4MAPTHSP90AA1
SCHEMBL3060213 0.87 ITGA4 (0.32) ACP3ITGA4LMNAMAPTPSEN1
SCHEMBL2098099 0.86 ITGA4 (0.33) ACP3ITGA4LMNAMAPTPSEN1
SCHEMBL2098758 0.86 C5AR1 (0.35) ACP3ALDH1A1ITGA4S1PR1LMNA
SCHEMBL2097982 0.85 ACP3 (0.37) ACP3ALDH1A1ITGA4S1PR1LMNA
SCHEMBL2099271 0.85 PTPN1 (0.38) ITGA4S1PR1

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 ACP3 1198/4885ALDH1A1 468/4885CRHBP 4732/4885

“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.