SCHEMBL3036210

SCHEMBL3036210

CCC(CC)(N(c1ccc2c(C(=O)N3CCCC3)cn(C)c2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
TP53 P04637 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL3036134 0.85 GRM4 (0.37) RXFP1GAASMN1; SMN2POLB
SCHEMBL3030205 0.83 USP2 (0.40) USP2TP53RXFP1ALDH1A1GAA
SCHEMBL3028901 0.82 ATM (0.40) USP2TP53RXFP1ALDH1A1GAA
SCHEMBL3036209 0.80 SMN1; SMN2 (0.41) USP2TP53RXFP1ALDH1A1GAA
SCHEMBL2842904 0.79 USP2 (0.41) USP2TP53RXFP1ALDH1A1GAA
SCHEMBL2851114 0.79 ATM (0.41) USP2TP53RXFP1ALDH1A1GAA
SCHEMBL2844120 0.78 USP2 (0.41) USP2TP53RXFP1ALDH1A1GAA
SCHEMBL11948440 0.77 TP53 (0.39) USP2TP53RXFP1ALDH1A1GAA
SCHEMBL3040173 0.77 USP2 (0.39) USP2TP53RXFP1ALDH1A1SMN1; SMN2
SCHEMBL3033328 0.77 ALDH1A1 (0.49) USP2TP53RXFP1ALDH1A1GAA

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-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 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-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS G6PC1, PYGL, PPP1CA USP2 2690/4885TP53 3992/4885RXFP1 2785/4885

“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.