SCHEMBL16782015

SCHEMBL16782015

C[S@@+]([O-])CCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TEAD3 Q99594 1/20 0.40
NAAA Q02083 5/20 0.40
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL16782139 1.00 TSHR (0.50) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL16782014 1.00 TSHR (0.50) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL17859637 0.91 TSHR (0.52) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL8621469 0.80 TSHR (0.70) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2640223 0.80 TSHR (0.70) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011624 0.78 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011734 0.78 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011595 0.78 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011715 0.78 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011646 0.78 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753935-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2020-12-23 EP disclosed
EP-3080105-B1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-09-02 EP disclosed
EP-3080105-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2016-10-19 EP disclosed
US-9266869-B2 Substituted dialkyl(oxido)-lambda4-sulfanylidene nicotinamide derivatives as kinase inhibitors ALLERGAN, INC. (US) 2016-02-23 US disclosed
US-20150166521-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. 2015-06-18 US disclosed
WO-2015089210-A1 SUBSTITUTED DIALKYL(OXIDO)-Λ4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2015-06-18 WO disclosed
US-20150166521-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. 2015-06-18 US disclosed
US-20150166521-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. 2015-06-18 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-20150166521-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS NADK, MAP4K1, MAP4K2 TSHR 1985/4885L3MBTL1 2146/4885TDP1 3110/4885

“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.