SCHEMBL3028894

SCHEMBL3028894

CNC(=O)N1CCc2cc(N(CC(OCOC(=O)C(C)(C)C)(O[PH2]=O)OC(=O)C(C)(C)C)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
RORC P51449 2/20 0.34
GPR119 Q8TDV5 4/20 0.33
PTPN11 Q06124 4/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
DRD2 P14416 1/20 0.30
DRD4 P21917 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
SCHEMBL3023287 0.92 LMNA (0.40) RORCLMNATSHRHTTSMN1; SMN2
SCHEMBL3028897 0.91 ADRB2 (0.35) ADRB2ADRB1ADRB3RORCGPR119
SCHEMBL3023289 0.83 LMNA (0.41) RORCLMNATSHRHTTSMN1; SMN2
SCHEMBL3028892 0.81 ADRB2 (0.38) ADRB2ADRB1ADRB3RORCGPR119
SCHEMBL11948412 0.78 ADRB2 (0.42) ADRB2ADRB1ADRB3RORCGPR119
SCHEMBL2842862 0.75 ADRB2 (0.48) ADRB2ADRB1ADRB3PTPN11LMNA
SCHEMBL4438785 0.74 PTPN11 (0.46) ADRB2ADRB1ADRB3PTPN11LMNA
SCHEMBL3028686 0.73 ADRB2 (0.45) ADRB2ADRB1ADRB3RORCPTPN11
SCHEMBL3023286 0.72 LMNA (0.44) LMNATSHRHTTSMN1; SMN2POLB
SCHEMBL11948402 0.72 PTPN11 (0.41) ADRB2ADRB1ADRB3GPR119PTPN11

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 ADRB2 3324/4885ADRB1 1318/4885ADRB3 2975/4885

“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.