SCHEMBL10292017

SCHEMBL10292017

Cn1cc(C(=O)N2CCOCC2)c2ccc(N(CP(=O)(O)O)Sc3cc(Cl)cc(Cl)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.37
LRRK2 Q5S007 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
CECR2 Q9BXF3 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10292037 0.93 HDAC1 (0.37) USP2ALDH1A1HDAC1HDAC6MEN1
SCHEMBL10292411 0.92 ALDH1A1 (0.37) USP2ALDH1A1HDAC1HDAC6MEN1
SCHEMBL10292407 0.91 LRRK2 (0.36) USP2ALDH1A1LRRK2HDAC1HDAC6
SCHEMBL10292038 0.87 RORC (0.34) HDAC1HDAC6POLB
SCHEMBL3033328 0.82 ALDH1A1 (0.49) USP2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3030205 0.75 USP2 (0.40) USP2ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL3028901 0.74 ATM (0.40) USP2ALDH1A1SMN1; SMN2POLB
SCHEMBL3040173 0.73 USP2 (0.39) USP2ALDH1A1LRRK2HDAC1HDAC6
SCHEMBL2845974 0.73 ALDH1A1 (0.50) USP2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11948438 0.71 USP2 (0.46) USP2ALDH1A1KDM4ELRRK2MEN1

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 2690/4885ALDH1A1 2674/4885KDM4E 1676/4885

“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.