SCHEMBL4757072

SCHEMBL4757072

Cc1cccc(C(=O)Nc2nc(S(C)(=O)=O)cs2)c1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.62
PDE1A P54750 2/20 0.62
PDE1B Q01064 2/20 0.62
PDE1C Q14123 2/20 0.62
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RCE1 Q9Y256 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDR P35968 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL4757043 0.88 NPC1 (0.70) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL4756360 0.87 NPC1 (0.55) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL4757082 0.86 NPC1 (0.54) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL4756366 0.85 NPC1 (0.53) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL4757093 0.83 SORT1 (0.47) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL4756729 0.83 SLC2A1 (0.46) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL10114456 0.83 PDE5A (0.44) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL4757020 0.82 NPC1 (0.56) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL4756354 0.82 RAB9A (0.50) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL4756956 0.81 PDE5A (0.51) PDE5APDE1APDE1BPDE1CNPC1

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-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC PDE5A 4694/4885PDE1A 4846/4885PDE1B 4830/4885

“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.