SCHEMBL4756956

SCHEMBL4756956

Cc1cccc(C(=O)Nc2nc(C)c(S(C)(=O)=O)s2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51
RAB9A P51151 6/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GRM4 Q14833 8/20 0.46
KDR P35968 1/20 0.46
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL10114335 0.85 SMN1; SMN2 (0.45) RAB9AALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL4756512 0.81 RAB9A (0.70) RAB9AALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL4757072 0.81 PDE5A (0.62) PDE5APDE1APDE1BPDE1CRAB9A
SCHEMBL4757180 0.79 RAB9A (0.48) RAB9AALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL4756873 0.78 NPC1 (0.43) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL4757138 0.76 RAB9A (0.43) RAB9AALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL10114554 0.73 TP53 (0.45) RAB9AALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL4756962 0.72 NPC1 (0.40) RAB9AALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL10125972 0.72 PIK3CG (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4756561 0.71 RAB9A (0.44) RAB9AALDH1A1SMN1; SMN2NPSR1NPC1

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.