SCHEMBL16115015

SCHEMBL16115015

[CH2]C(=O)SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.54
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
TDP1 Q9NUW8 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C19 P33261 1/20 0.48
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
PAM P19021 1/20 0.44
GAA P10253 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL3070200 0.81 IDO1 (0.71) IDO1NOS3NOS1NOS2TDP1
SCHEMBL79058 0.81 IDO1 (0.58) IDO1NOS3NOS1NOS2TDP1
SCHEMBL2499860 0.79 IDO1 (0.56) IDO1NOS3NOS1NOS2TDP1
SCHEMBL2364065 0.79 IDO1 (0.69) IDO1NOS3NOS1NOS2TDP1
Hydrochloric Acid SCHEMBL11629727 0.79 IDO1 (0.59) IDO1NOS3NOS1NOS2TDP1
SCHEMBL10709613 0.78 IDO1 (0.50) IDO1NOS3NOS1NOS2TDP1
SCHEMBL6790276 0.77 TDP1 (0.55) IDO1NOS3NOS1NOS2TDP1
SCHEMBL42484 0.77 IDO1 (0.54) IDO1NOS3NOS1NOS2TDP1
SCHEMBL28340394 0.77 IDO1 (0.54) IDO1NOS3NOS1NOS2TDP1
SCHEMBL1397310 0.77 IDO1 (0.65) IDO1NOS3NOS1NOS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-25 US claimed
EP-2978317-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP claimed
CN-105120667-A Methods of controlling neonicotinoid resistant pests SYNGENTA PARTICIPATIONS AG 2015-12-02 CN claimed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO claimed
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (UK) 2016-02-25 US disclosed
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-25 US disclosed
EP-2978316-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
EP-2978317-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
WO-2014154488-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO 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 (2 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-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH IDO1 2448/4885NOS3 1027/4885NOS1 994/4885
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH IDO1 2005/4885NOS3 1026/4885NOS1 857/4885

“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.