SCHEMBL13610443

SCHEMBL13610443

c1ccc2oc(SSSCc3ccc4scnc4c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.40
MAPT P10636 7/20 0.40
TSHR P16473 5/20 0.40
DDAH1 O94760 1/20 0.40
ADRA2C P18825 1/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
LMNA P02545 4/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 4/20 0.36

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
SCHEMBL13610464 0.79 DDAH1 (0.43) SMN1; SMN2MAPTTSHRDDAH1ADRA2C
SCHEMBL13610364 0.76 HPGD (0.48) SMN1; SMN2MAPTTSHRDDAH1ADRA2C
SCHEMBL13610438 0.76 HSD17B10 (0.37) MAPK1ALDH1A1HSD17B10
SCHEMBL13610437 0.74 RAB9A (0.44) SMN1; SMN2MAPTTSHRHPGDRAB9A
SCHEMBL13610327 0.73 ALDH1A1 (0.52) SMN1; SMN2MAPTTSHRDDAH1ADRA2C
SCHEMBL13780207 0.73 DDAH1 (0.41) SMN1; SMN2MAPTTSHRDDAH1ADRA2C
SCHEMBL13610429 0.72 ALDH1A1 (0.37) SMN1; SMN2TSHRHPGDRAB9ANPC1
SCHEMBL13610444 0.72 PDK1 (0.51) SMN1; SMN2MAPTADRA2CHPGDCYP2C9
SCHEMBL13610431 0.72 SMN1; SMN2 (0.40) SMN1; SMN2MAPTTSHRHPGDCYP1A2
SCHEMBL13610533 0.72 SMN1; SMN2 (0.72) SMN1; SMN2MAPTTSHRDDAH1ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 1171/4885MAPT 3990/4885TSHR 1867/4885

“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.