SCHEMBL628049

SCHEMBL628049

CCC(OS(=O)(=O)O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
ALOX5 P09917 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
SLC6A4 P31645 5/20 0.35
GAA P10253 2/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 4/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C19 P33261 2/20 0.34
MLNR O43193 1/20 0.34
CACNA1F O60840 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL29003427 0.78 ALOX5 (0.42) RAB9AMAPTALOX5CES2CES1
SCHEMBL5911245 0.75 SLC6A2 (0.38) ALOX5SLC6A4GAASLC6A2SLC6A3
SCHEMBL10741651 0.75 RAB9A (0.46) RAB9AMAPTALOX5LMNAPOLB
SCHEMBL27082136 0.74 SLC6A2 (0.40) ALOX5SLC6A4GAASLC6A2SLC6A3
SCHEMBL5911184 0.74 SLC6A2 (0.38) ALOX5SLC6A4GAASLC6A2SLC6A3
SCHEMBL9209957 0.73 SLC6A4 (0.36) RAB9AMAPTSLC6A4GAASLC6A2
SCHEMBL775919 0.73 LMNA (0.44) MAPTLMNAPOLBCYP2C19CYP1A2
SCHEMBL3798593 0.71 CACNA2D1 (0.36) SLC6A4GAASLC6A2SLC6A3CYP2C19
SCHEMBL630115 0.71 CES2 (0.36) RAB9AALOX5CES2CES1KEAP1
SCHEMBL5911550 0.70 SLC6A2 (0.36) MAPTALOX5SLC6A4GAASLC6A2

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
EP-1693370-B1 SULFOXYALKYLTHIOPHENE COMPOUND AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2012-02-22 EP disclosed
US-7371873-B2 Sulfoxyalkylthiophene and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-13 US disclosed
US-20070260071-A1 Sulfoxyalkylthiophene and Process for Producing the Same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-08 US disclosed
EP-1693370-A1 SULFOXYALKYLTHIOPHENE COMPOUND AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2006-08-23 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 (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-20070260071-A1 Sulfoxyalkylthiophene and Process for Producing the Same TST, SULT1A1, MPST RAB9A 2989/4885MAPT 543/4885ALOX5 911/4885

“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.