SCHEMBL4569877

SCHEMBL4569877

COc1ncc(-c2ccc(S(=O)(=O)Nc3ccsc3C(C)=O)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
PTGES2 Q9H7Z7 2/20 0.43
AKT1 P31749 3/20 0.41
MTOR P42345 3/20 0.41
PIK3CA P42336 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNH2 Q12809 1/20 0.41
PKM P14618 2/20 0.41
ACLY P53396 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SLC10A6 Q3KNW5 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL4569887 0.87 PTGES2 (0.59) TSHRLMNAHPGDPTGES2KCNH2
SCHEMBL13552656 0.84 LMNA (0.48) TSHRLMNAHPGDPTGES2AKT1
SCHEMBL4569876 0.78 LMNA (0.50) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL4572291 0.78 LMNA (0.42) TSHRLMNAHPGDPTGES2AKT1
SCHEMBL4572289 0.76 NRP1 (0.53) TSHRLMNAHPGDPTGES2
SCHEMBL4569899 0.75 NRP1 (0.53) TSHRLMNAHPGD
SCHEMBL13552676 0.73 PTGES2 (0.55) TSHRLMNAHPGDPTGES2KCNH2
SCHEMBL4569878 0.72 BRD4 (0.50) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL1199735 0.72 LMNA (1.00) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL7530793 0.72 LMNA (0.80) TSHRLMNAHPGDMEN1KMT2A

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 TSHR 801/4885LMNA 4551/4885HPGD 529/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 TSHR 801/4885LMNA 4551/4885HPGD 529/4885

“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.