SCHEMBL3042954

SCHEMBL3042954

O=C(NC1CC1)N1CCc2cc(N(CP(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADRB2 P07550 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 5/20 0.37
HTT P42858 2/20 0.37
KDM1A O60341 2/20 0.36
NR3C1 P04150 1/20 0.36
RORC P51449 1/20 0.36
PTPN11 Q06124 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3028686 0.88 ADRB2 (0.45) SMN1; SMN2ADRB2LMNAGAAPOLB
SCHEMBL3036232 0.85 LMNA (0.52) SMN1; SMN2LMNAGAAPOLBTSHR
SCHEMBL3033055 0.85 LMNA (0.41) SMN1; SMN2LMNAGAAPOLBTSHR
SCHEMBL3040196 0.85 PTPN11 (0.49) SMN1; SMN2NPC1RAB9AADRB2PTPN11
SCHEMBL3040492 0.84 ATM (0.41) SMN1; SMN2ADRB2LMNAGAAPOLB
SCHEMBL3036192 0.84 ADRB2 (0.45) SMN1; SMN2ADRB2LMNAGAAPOLB
SCHEMBL3038864 0.84 TSHR (0.54) KMT2AMEN1LMNAGAAPOLB
SCHEMBL3028715 0.82 PTPN11 (0.47) SMN1; SMN2KMT2AMEN1LMNAPOLB
SCHEMBL3040272 0.81 HTR2C (0.60)
SCHEMBL3040496 0.80 LMNA (0.43) SMN1; SMN2ADRB2LMNAGAAPOLB

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 4 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-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
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 SMN1; SMN2 2255/4885NPC1 4463/4885RAB9A 2539/4885

“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.