SCHEMBL6870558

SCHEMBL6870558

Cc1ccc(CS(=O)(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.41
ALOX5AP P20292 3/20 0.41
TP53 P04637 1/20 0.41
FEN1 P39748 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
STS P08842 1/20 0.41
HCRTR2 O43614 1/20 0.40
APP P05067 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40

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
SCHEMBL29407129 0.90 STS (0.51) NPSR1MEN1KMT2ANPC1ALOX5AP
SCHEMBL143674 0.85 LMNA (0.47) NPSR1LMNAL3MBTL1MEN1KMT2A
SCHEMBL345625 0.85 LMNA (0.47) NPSR1LMNAL3MBTL1MEN1KMT2A
SCHEMBL86666 0.85 LMNA (0.47) NPSR1LMNAL3MBTL1MEN1KMT2A
SCHEMBL7670460 0.83 STS (0.53) NPSR1KMT2AGPR119STSHCRTR2
SCHEMBL7416359 0.83 STS (0.53) NPSR1KMT2AGPR119STSHCRTR2
SCHEMBL7414543 0.83 STS (0.53) NPSR1KMT2AGPR119STSHCRTR2
SCHEMBL10132334 0.83 NPSR1 (0.50) NPSR1LMNAL3MBTL1MEN1KMT2A
SCHEMBL4809535 0.82 LMNA (0.43) NPSR1LMNAMEN1KMT2AALOX5AP
SCHEMBL6535537 0.81 GPR119 (0.49) NPSR1LMNAL3MBTL1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 US disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 EP 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-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI NPSR1 3896/4885LMNA 1478/4885L3MBTL1 1289/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 NPSR1 2782/4885LMNA 634/4885L3MBTL1 2446/4885

“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.