SCHEMBL13610439

SCHEMBL13610439

c1nc2cc(CSSSCc3ccc4nonc4c3)ccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNJ1 P48048 3/20 0.38
KCNH2 Q12809 3/20 0.38
PKM P14618 1/20 0.35
TOP2A P11388 2/20 0.34
CXCR2 P25025 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 1/20 0.33
ENPP2 Q13822 1/20 0.33
PTK6 Q13882 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
GSK3B P49841 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR1 O14842 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL13610350 0.81 TDP1 (0.41) ALDH1A1HSD17B10MAPK1PKMSMN1; SMN2
SCHEMBL13610429 0.80 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10PKMSMN1; SMN2
SCHEMBL13610428 0.78 TSHR (0.36) ALDH1A1TSHRHSD17B10PKMSMN1; SMN2
SCHEMBL13610306 0.77 L3MBTL1 (0.44) ALDH1A1MAPK1SMN1; SMN2PTK6GSK3B
SCHEMBL13610446 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPK1SMN1; SMN2PTK6
SCHEMBL13610449 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL13610431 0.76 SMN1; SMN2 (0.40) ALDH1A1TSHRHSD17B10ALOX15SMN1; SMN2
SCHEMBL13610433 0.76 NOTUM (0.45) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13610438 0.76 HSD17B10 (0.37) ALDH1A1HSD17B10MAPK1FFAR1
SCHEMBL13610351 0.76 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10ALOX15MAPK1

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 ALDH1A1 285/4885TSHR 1867/4885HSD17B10 2102/4885

“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.