SCHEMBL13610284

SCHEMBL13610284

SCc1ccc2scnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TRPM5 Q9NZQ8 1/20 0.38
FFAR1 O14842 1/20 0.37
HSD11B1 P28845 1/20 0.37
IDO1 P14902 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DYRK1A Q13627 1/20 0.34
KDR P35968 3/20 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
SCHEMBL10230254 0.85 NPC1 (0.47) ALDH1A1HSD17B10IDO1NPC1RAB9A
SCHEMBL9676880 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL29976332 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL3819546 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL6396893 0.81 CYP2A6 (0.47) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL2357662 0.81 HSD17B10 (0.50) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL9921443 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL2620993 0.81 NPC1 (0.47) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL6647512 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1
SCHEMBL5541911 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10TRPM5FFAR1HSD11B1

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 ALDH1A1 285/4885HSD17B10 2102/4885TRPM5 1641/4885

“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.