SCHEMBL352655

SCHEMBL352655

NC(C(=O)O)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
HSD17B10 Q99714 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
MEN1 O00255 3/20 0.44
CYP2C9 P11712 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
GRM4 Q14833 1/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
DAO P14920 1/20 0.43

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
SCHEMBL352654 1.00 ALOX5 (0.47) ALOX5HSD17B10TDP1MEN1CYP2C9
SCHEMBL3973896 1.00 ALOX5 (0.47) ALOX5HSD17B10TDP1MEN1CYP2C9
SCHEMBL3976361 0.83 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1LCK
SCHEMBL8255743 0.83 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1LCK
SCHEMBL4603992 0.83 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1LCK
SCHEMBL10821116 0.82 ALOX5 (0.46) ALOX5SLC1A3SLC1A2SLC1A1LCK
SCHEMBL4603985 0.82 ALOX5 (0.46) ALOX5SLC1A3SLC1A2SLC1A1LCK
SCHEMBL11694264 0.82 ALOX5 (0.46) ALOX5CYP2D6SLC6A2SLC6A4SLC1A3
Hydrochloric Acid SCHEMBL11829834 0.80 ALOX5 (0.45) ALOX5CYP2D6SLC6A2SLC6A4SLC1A3
SCHEMBL11431774 0.79 NR1I2 (0.50) ALOX5TDP1MEN1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107337782-B Cement-based material dispersant suitable for low-temperature construction and preparation method thereof 江苏苏博特新材料股份有限公司 2021-04-20 CN claimed
US-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US claimed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP claimed
US-4073687-A PENICILLINS OR CEPHALOSPORINS SHIONOGI & CO., LTD. (JA) 1978-02-14 US claimed
CN-107337782-B Cement-based material dispersant suitable for low-temperature construction and preparation method thereof 江苏苏博特新材料股份有限公司 2021-04-20 CN disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
CN-107406373-B Boron-containing diacylhydrazine compounds 英特瑞克斯顿股份有限公司 2020-04-28 CN disclosed
EP-3194359-B1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORP (US) 2020-04-08 EP disclosed
US-10570158-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2020-02-25 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds INTREXON CORP (US) 2018-07-19 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3996219-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3996217-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3996218-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3994889-A 3-Heterothio derivatives of (α-thiocarbonylaminol)-7α-methoxy-cephalosporins E. R. SQUIBB & SONS, INC. (US) 1976-11-30 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 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 (5 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR ALOX5 4644/4885HSD17B10 701/4885TDP1 2173/4885
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds BRDT, CD22, BCR ALOX5 4566/4885HSD17B10 823/4885TDP1 2048/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR ALOX5 4644/4885HSD17B10 701/4885TDP1 2173/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR ALOX5 4644/4885HSD17B10 701/4885TDP1 2173/4885
US-10570158-B2 Boron-containing diacylhydrazine compounds BRDT, CD22, BCR ALOX5 4566/4885HSD17B10 823/4885TDP1 2048/4885

“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.