SCHEMBL13610464

SCHEMBL13610464

c1ccc2oc(SSSCc3ccc4nonc4c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.43
ADRA2C P18825 1/20 0.43
TSHR P16473 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 9/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL13610364 0.80 HPGD (0.48) DDAH1ADRA2CTSHRALDH1A1MAPK1
SCHEMBL13610443 0.79 SMN1; SMN2 (0.40) DDAH1ADRA2CTSHRALDH1A1MAPK1
SCHEMBL13610327 0.77 ALDH1A1 (0.52) DDAH1ADRA2CTSHRALDH1A1MAPK1
SCHEMBL13780207 0.76 DDAH1 (0.41) DDAH1ADRA2CTSHRALDH1A1MAPK1
SCHEMBL13610460 0.74 ALDH1A1 (0.48) TSHRALDH1A1MAPK1HSD17B10ALOX15
SCHEMBL13610387 0.74 SMN1; SMN2 (0.49) DDAH1ADRA2CTSHRALDH1A1MAPK1
SCHEMBL28808030 0.73 HPGD (0.55) DDAH1ADRA2CTSHRALDH1A1MAPK1
SCHEMBL13610486 0.72 DDAH1 (0.43) DDAH1ADRA2CTSHRALDH1A1MAPK1
SCHEMBL28782619 0.71 GFER (0.50) DDAH1ADRA2CTSHRALDH1A1MAPK1
SCHEMBL13610461 0.71 SMN1; SMN2 (0.43) TSHRALDH1A1MAPK1HSD17B10ALOX15

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 DDAH1 608/4885ADRA2C 4689/4885TSHR 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.