SCHEMBL2106418

SCHEMBL2106418

COC(=O)c1sccc1N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
SLC10A6 Q3KNW5 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 4/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
EDNRA P25101 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 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
SCHEMBL4729037 0.75 NPC1 (0.47) NPSR1POLBLMNAL3MBTL1NPC1
SCHEMBL22261640 0.74 NPC1 (0.46) NPSR1POLBLMNAL3MBTL1NPC1
SCHEMBL6365754 0.74 NPSR1 (0.52) NPSR1POLBL3MBTL1NPC1CA1
SCHEMBL6361732 0.73 NPSR1 (0.51) NPSR1L3MBTL1NPC1CA1CA2
SCHEMBL18090576 0.71 POLB (0.46) POLBLMNATP53THRBEDNRA
SCHEMBL2157960 0.70 SLC10A6 (0.45) SLC10A6POLBLMNATP53THRB
SCHEMBL1926172 0.69 NPSR1 (0.47) NPSR1L3MBTL1NPC1CA1CA2
SCHEMBL318317 0.69 KMT2A (0.54) NPSR1POLBLMNAL3MBTL1NPC1
SCHEMBL27999989 0.68 KMT2A (0.44) NPSR1SLC10A6POLBLMNATP53
SCHEMBL1925500 0.68 NPSR1 (0.47) NPSR1POLBL3MBTL1NPC1ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2012-10-25 US disclosed
US-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2012-10-25 US disclosed
US-8227606-B2 Arginine derivatives with NP-1 antagonistic activity ARK THERAPEUTICS, LTD. (GB) 2012-07-24 US disclosed
US-8227606-B2 Arginine derivatives with NP-1 antagonistic activity ARK THERAPEUTICS, LTD. (GB) 2012-07-24 US disclosed
US-8227606-B2 Arginine derivatives with NP-1 antagonistic activity ARK THERAPEUTICS, LTD. (GB) 2012-07-24 US disclosed
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY GB06/019611.7 THERAPIES LIMITED (GB) 2012-05-17 US disclosed
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY GB06/019611.7 THERAPIES LIMITED (GB) 2012-05-17 US disclosed
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY GB06/019611.7 THERAPIES LIMITED (GB) 2012-05-17 US disclosed
US-8158789-B2 Arginine derivatives with NP-I antagonistic activity Ark Therapeutics Group Ltd. (GB) 2012-04-17 US disclosed
US-8158789-B2 Arginine derivatives with NP-I antagonistic activity Ark Therapeutics Group Ltd. (GB) 2012-04-17 US disclosed
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2010-01-28 US disclosed
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2010-01-28 US disclosed
EP-2084140-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY Ark Therapeutics Ltd. (GB) 2009-08-05 EP disclosed
WO-2008040979-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY ARK THERAPEUTICS LTD. (GB) 2008-04-10 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 (3 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-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 NPSR1 10/4885SLC10A6 1440/4885POLB 4685/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 NPSR1 10/4885SLC10A6 1440/4885POLB 4685/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 NPSR1 10/4885SLC10A6 1440/4885POLB 4685/4885

“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.