SCHEMBL2055463

SCHEMBL2055463

C[Si](C)(C)C#Cc1ccc2ccccc2c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.39
F12 P00748 1/20 0.39
NCF1 P14598 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 7/20 0.37
HSD17B10 Q99714 7/20 0.37
TSHR P16473 5/20 0.37
CYP2A6 P11509 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NCEH1 Q6PIU2 1/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GLA P06280 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 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
SCHEMBL28270454 0.81 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5012545 0.78 GRM5 (0.49) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL30620185 0.77 CYP1A2 (0.41) ALDH1A1HSD17B10TSHRHPGDKDM4E
SCHEMBL20534467 0.77 CYP1A2 (0.41) ALDH1A1HSD17B10TSHRHPGDKDM4E
SCHEMBL28466387 0.76 HPRT1 (0.34) ALDH1A1HSD17B10TSHRHPGDMAPT
SCHEMBL2055464 0.75 ALDH1A1 (0.50) PLAUF12NCF1NOS3NOS1
SCHEMBL18081447 0.74 ELANE (0.40) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL27536480 0.73 CA1 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL1777875 0.72 ENPP3 (0.42) ALDH1A1HSD17B10TSHRTDP1HPGD
SCHEMBL12144561 0.72 ALOX15 (0.40) ALDH1A1HSD17B10TSHRTDP1HPGD

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 6 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-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
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
EP-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP disclosed
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 WO 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 PLAU 1954/4885F12 648/4885NCF1 3399/4885

“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.