SCHEMBL2099735

SCHEMBL2099735

CCC(CC)(N(c1c(C(=O)NCc2ccccc2)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
KCNA5 P22460 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TUBB P07437 1/20 0.38
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37

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
SCHEMBL2098758 0.87 C5AR1 (0.35) MEN1KMT2AMAPTALDH1A1
SCHEMBL3060213 0.87 ITGA4 (0.32) MEN1KMT2AMAPTKDM4E
SCHEMBL2098099 0.86 ITGA4 (0.33) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL2098617 0.84 POLB (0.38) POLBKCNA5MEN1KMT2ATUBB
SCHEMBL2098911 0.83 NSD2 (0.43) POLBKCNA5MEN1KMT2AMAPT
SCHEMBL2098604 0.83 ACP3 (0.33) POLBMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL2098705 0.82 CYP1A2 (0.33) MAPTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL3068176 0.82 HPGD (0.40) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL2098828 0.82 ACP3 (0.32)
SCHEMBL2055503 0.81 KCNA5 (0.42) POLBKCNA5MEN1KMT2AALDH1A1

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 POLB 4238/4885KCNA5 1124/4885MEN1 2590/4885

“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.