SCHEMBL516582

SCHEMBL516582

CCC(C)[S+]([O-])[S+]([O-])C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL703269 0.79 TSHR (0.33) TSHR
SCHEMBL10946012 0.78
SCHEMBL10944160 0.78
SCHEMBL515547 0.76
SCHEMBL10947209 0.76
SCHEMBL10950607 0.76
SCHEMBL25289015 0.73
SCHEMBL10390791 0.73
SCHEMBL647352 0.73
SCHEMBL647354 0.73

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9282741-B2 Aniline type compounds BASF SE (DE) 2016-03-15 US disclosed
US-9174967-B2 Substituted pyrazole-containing compounds and their use as pesticides BASF SE (DE) 2015-11-03 US disclosed
US-9169253-B2 Tricyclic quinoline and quinoxaline derivatives AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-27 US disclosed
US-20150250175-A1 PESTICIDALLY ACTIVE MIXTURES COMPRISING ANTHRANILAMIDE COMPOUNDS BASF SE (DE) 2015-09-10 US disclosed
US-20150250173-A1 PESTICIDALLY ACTIVE MIXTURES COMPRISING ANTHRANILAMIDE COMPOUNDS BASF SE (DE) 2015-09-10 US disclosed
US-20150237858-A1 METHOD OF CONTROLLING RYANODINE-MODULATOR INSECTICIDE RESISTANT INSECTS BASF SE (DE) 2015-08-27 US disclosed
US-20150216166-A1 Aniline Type Compounds BASF SE (DE) 2015-08-06 US disclosed
US-9096583-B2 Substituted 1,2,5-oxadiazole compounds and their use as herbicides II BASF SE (DE) 2015-08-04 US disclosed
US-9044016-B2 N-thio-anthranilamide compounds and their use as pesticides BASF SE (DE) 2015-06-02 US disclosed
US-9006485-B2 Aniline type compounds BASF SE (DE) 2015-04-14 US disclosed
US-20140155264-A1 N-Thio-Anthranilamide Compounds and Their Use as Pesticides BASF SE (DE) 2014-06-05 US disclosed
US-20140155451-A1 Aniline Type Compounds BASF SE (DE) 2014-06-05 US disclosed
US-20140080814-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 US disclosed
US-20140080813-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES ABBVIE DEUTSCHLAND (DE) 2014-03-20 US disclosed
US-8653000-B2 Imine substituted 2,4-diaryl-pyrroline derivatives as pesticides BASF SE (DE) 2014-02-18 US disclosed
US-20130190378-A1 Imine substituted 2,4-diaryl-pyrroline derivatives as pesticides BASF SE (DE) 2013-07-25 US disclosed
US-20130184320-A1 Imine Compounds BASF SE (DE) 2013-07-18 US disclosed
US-20130012381-A1 Pyridazine Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-01-10 US disclosed
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-11-15 US disclosed
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests BASF SE (DE) 2012-02-02 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 (13 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-20140080813-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A TSHR 478/4885
US-20150216166-A1 Aniline Type Compounds ADORA3, AKT1S1, PIK3C2A TSHR 296/4885
US-20150250173-A1 PESTICIDALLY ACTIVE MIXTURES COMPRISING ANTHRANILAMIDE COMPOUNDS AADAC, ARSA, SIRT7 TSHR 2535/4885
US-20140155264-A1 N-Thio-Anthranilamide Compounds and Their Use as Pesticides NAT1, ANTXR2, ATL3 TSHR 325/4885
US-20130012381-A1 Pyridazine Compounds for Controlling Invertebrate Pests PNPO, PLPBP, PIR TSHR 3089/4885
US-20140080814-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A TSHR 478/4885
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests PRDX5, PRDX1, PRDX2 TSHR 4240/4885
US-20140155451-A1 Aniline Type Compounds ADORA3, AKT1S1, PIK3C2A TSHR 296/4885
US-20150250175-A1 PESTICIDALLY ACTIVE MIXTURES COMPRISING ANTHRANILAMIDE COMPOUNDS MCU, AGK, MLYCD TSHR 363/4885
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests CRY1, PIR, DDT TSHR 4588/4885
US-20130190378-A1 Imine substituted 2,4-diaryl-pyrroline derivatives as pesticides DDT, PIR, INMT TSHR 4096/4885
US-20130184320-A1 Imine Compounds INMT, PNMT, IPO5 TSHR 4622/4885
US-20150237858-A1 METHOD OF CONTROLLING RYANODINE-MODULATOR INSECTICIDE RESISTANT INSECTS RYR2, RYR1, CRY1 TSHR 293/4885

“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.