SCHEMBL13610509

SCHEMBL13610509

c1ccc2oc(SSSCc3cnccn3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
PTGS1 P23219 2/20 0.43
DDAH1 O94760 1/20 0.41
ADRA2C P18825 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
TSHR P16473 4/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
MAPT P10636 4/20 0.39
HBB P68871 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL13610486 0.86 DDAH1 (0.43) PTGS2PTGS1DDAH1ADRA2CSMN1; SMN2
SCHEMBL13610364 0.73 HPGD (0.48) PTGS2PTGS1DDAH1ADRA2CSMN1; SMN2
SCHEMBL13610533 0.71 SMN1; SMN2 (0.72) DDAH1ADRA2CSMN1; SMN2TSHRMAPK1
SCHEMBL4188069 0.71 DDAH1 (0.59) DDAH1ADRA2CSMN1; SMN2TSHRMAPK1
SCHEMBL13610472 0.70 RAB9A (0.46) SMN1; SMN2TSHRTDP1RAB9ANPC1
SCHEMBL13610498 0.70 CYP1A2 (0.35) RAB9AHSD17B10KMT2ACYP1A2CYP2C9
SCHEMBL13610327 0.70 ALDH1A1 (0.52) PTGS2PTGS1DDAH1ADRA2CSMN1; SMN2
SCHEMBL11824208 0.70 DDAH1 (0.60) DDAH1ADRA2CSMN1; SMN2TSHRMAPK1
SCHEMBL13610464 0.69 DDAH1 (0.43) DDAH1ADRA2CSMN1; SMN2TSHRMAPK1
SCHEMBL13610503 0.69 PDK1 (0.57) ADRA2CSMN1; SMN2TDP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742635-B1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC (US) 2018-03-07 EP disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 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-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF TST, CTH, CBS PTGS2 685/4885PTGS1 455/4885DDAH1 608/4885

“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.