SCHEMBL287677

SCHEMBL287677

Fc1cccc(Br)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA5A P35218 1/20 0.43
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
RELA Q04206 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 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
SCHEMBL6204215 0.86
SCHEMBL63128 0.86
SCHEMBL18867939 0.86
SCHEMBL30437684 0.86
Formaldehyde SCHEMBL28836070 0.84 MAOB (0.47) MAOBALDH1A1CES2CES1RELA
Fluoride SCHEMBL25408744 0.84 MAOB (0.50) MAOBALDH1A1CES2CES1RELA
SCHEMBL1072810 0.84
Magnesium SCHEMBL29442861 0.84
SCHEMBL851628 0.84 CES2 (0.46) CA1CA2CA9CES2CES1
Fluoride SCHEMBL31239659 0.84 MAOB (0.50) MAOBALDH1A1CES2CES1RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109608369-B Sulfonyl ester group anthraquinone derivative and preparation method and application thereof 广西大学 2021-04-09 CN claimed
CN-102603630-A O-aminobenzoic acid sulfonylation derivative as well as preparation method and application thereof UNIV BEIJING SCIENCE & TECH 2012-07-25 CN claimed
US-10064839-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2018-09-04 US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9617237-B2 Partially saturated tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-04-11 US disclosed
US-9561209-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2017-02-07 US disclosed
US-20170001973-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-01-05 US disclosed
CN-106243037-A The substituted phenylurea of part and phenyl amide as Rhizoma et radix valerianae compounds receptor 格吕伦塔尔有限公司 2016-12-21 CN disclosed
CN-101031564-A Piperazine derivatives for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2007-09-05 CN disclosed
CN-101006092-A Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and therapeutic agents using the same PFIZER (US) 2007-07-25 CN disclosed
CN-1906154-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2007-01-31 CN disclosed
CN-1630642-A Benzenesulfonamide derivatives GLAXO GROUP LTD (GB) 2005-06-22 CN disclosed
CN-1551869-A Novel compound 2004-12-01 CN disclosed
CN-1037568-C Phosphosulfonate herbicides ROHM & HAAS (US) 1998-03-04 CN disclosed
CN-1165144-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1165143-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1066266-A PHOSPHOSULFONATE HERBICIDES ROHM & HAAS (US) 1992-11-18 CN 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 (4 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-20170001973-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC MAOB 235/4885CA1 1161/4885CA2 678/4885
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 MAOB 416/4885CA1 2195/4885CA2 1088/4885
US-10064839-B2 Methods of treating liver diseases ENPEP, GOT2, METAP2 MAOB 416/4885CA1 2195/4885CA2 1088/4885
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC MAOB 235/4885CA1 1161/4885CA2 678/4885

“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.