SCHEMBL13610434

SCHEMBL13610434

c1ccc2c(CSSSCc3ccc4scnc4c3)csc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.42
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRNA7 P36544 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL13610457 0.81 CYP2A6 (0.39) CYP2A6ALDH1A1HSD17B10SMN1; SMN2TP53
SCHEMBL4267991 0.79 CYP2A6 (0.60) CYP2A6ALDH1A1SMN1; SMN2TP53RXFP1
SCHEMBL13610431 0.77 SMN1; SMN2 (0.40) ALDH1A1HSD17B10SMN1; SMN2TP53MAPT
SCHEMBL13610437 0.76 RAB9A (0.44) ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL13610350 0.76 TDP1 (0.41) ALDH1A1HSD17B10SMN1; SMN2MAPTIDO1
SCHEMBL13610429 0.75 ALDH1A1 (0.37) ALDH1A1HSD17B10SMN1; SMN2HIF1ATAAR1
SCHEMBL13610439 0.74 ALDH1A1 (0.43) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13610438 0.74 HSD17B10 (0.37) ALDH1A1HSD17B10
SCHEMBL13610428 0.73 TSHR (0.36) ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL13610306 0.73 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2TP53MAPTIDO1

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 FFAR2 2631/4885CYP2A6 2406/4885ALDH1A1 285/4885

“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.