SCHEMBL6907435

SCHEMBL6907435

CCCSN(SCCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.30
MAPK1 P28482 1/20 0.30

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
Hydrochloric Acid SCHEMBL10823079 0.97 TDP1 (0.37) TDP1ALDH1A1HPGDFFAR3HDAC3
SCHEMBL8853371 0.85 HSD17B10 (0.39) TDP1ALDH1A1GMNNTP53POLB
Hydrochloric Acid SCHEMBL10822670 0.83 HSD17B10 (0.38) TDP1ALDH1A1GMNNTP53POLB
Carbamic Acid SCHEMBL1300822 0.78 NOS3 (0.38) TDP1ALDH1A1GMNNTP53POLB
SCHEMBL5608381 0.78 FFAR3 (0.35) ALDH1A1HPGDFFAR3HDAC3HDAC1
SCHEMBL28741427 0.77 NOS3 (0.37) TDP1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL10822937 0.76 FFAR3 (0.33) ALDH1A1FFAR3TSHRMAPK1
SCHEMBL11527906 0.73 TDP1 (0.34) TDP1ALDH1A1HPGD
SCHEMBL11391597 0.72 ALDH1A1 (0.39) TDP1ALDH1A1HPGDPOLBMAPT
SCHEMBL756107 0.69

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-20040171489-A1 Synergistic active compound combinations for controlling harmful plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-02 US disclosed
US-20010056040-A1 Controlling weeds; synergistic mixtures BAYER AKTIENGESELLSCHAFT KONZERNBEREICH RP PATENT UND LIZENZEN (DE) 2001-12-27 US disclosed
US-6316386-B1 HERBICIDES AND ANTIGROWTH AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2001-11-13 US disclosed
EP-0329730-A4 ENCAPSULATION BY ENTRAPMENT WITHIN STARCH MATRIX 1990-12-27 EP disclosed
EP-0329730-A1 ENCAPSULATION BY ENTRAPMENT WITHIN STARCH MATRIX DOANE, William McKee (US) 1989-08-30 EP disclosed
WO-1989000419-A1 ENCAPSULATION BY ENTRAPMENT WITHIN STARCH MATRIX DOANE WILLIAM M (US) 1989-01-26 WO disclosed
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US disclosed
US-4157255-A 2-AMINO-BENZOFURAN-2-YL METHANE SULFONATE FISONS LIMITED (GB) 1979-06-05 US disclosed
US-4120871-A HERBICIDES, PLANT GROWTH REGULATORS FISONS LIMITED (GB) 1978-10-17 US disclosed
US-RE29238-E 2-CHLOROALLYL DIETHYLDITHIOCARBAMATE; HERBICIDE WESTVACO CORPORATION (US) 1977-05-31 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 (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-20040171489-A1 Synergistic active compound combinations for controlling harmful plants L3MBTL4, TTL, EBPL TDP1 1248/4885ALDH1A1 1356/4885HPGD 3721/4885
US-20010056040-A1 Controlling weeds; synergistic mixtures AS3MT, OSR1, MSRB3 TDP1 3605/4885ALDH1A1 334/4885HPGD 3503/4885

“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.