SCHEMBL2098705

SCHEMBL2098705

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACP3 P15309 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ITGA4 P13612 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
S1PR1 P21453 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MCL1 Q07820 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KCNJ11 Q14654 1/20 0.30
ESR1 P03372 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
SCHEMBL2098604 0.91 ACP3 (0.33) CYP1A2CYP2D6CYP2C9CYP2C19ACP3
SCHEMBL2098828 0.89 ACP3 (0.32) ACP3ITGA4S1PR1KCNJ11
SCHEMBL3060213 0.88 ITGA4 (0.32) ACP3MAPTITGA4LMNAKDM4E
SCHEMBL2098368 0.87 PDE4D (0.36) MAPTALDH1A1LMNA
SCHEMBL2099333 0.86 ACP3 (0.33) ACP3ITGA4
SCHEMBL3060485 0.86 SLC22A12 (0.33) ACP3MAPTITGA4ALDH1A1KDM4E
SCHEMBL2099271 0.86 PTPN1 (0.38) ITGA4S1PR1
SCHEMBL2098099 0.85 ITGA4 (0.33) ACP3TP53MAPTITGA4LMNA
SCHEMBL2098758 0.85 C5AR1 (0.35) ACP3MAPTITGA4ALDH1A1LMNA
SCHEMBL2098016 0.84 MAPT (0.35) TP53MAPTALDH1A1LMNAKDM4E

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 CYP1A2 171/4885CYP2D6 84/4885CYP2C9 157/4885

“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.