SCHEMBL346786

SCHEMBL346786

CCCCc1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.56
ASIC3 Q9UHC3 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.56
ADRB2 P07550 1/20 0.56
AGXT P21549 1/20 0.51
RAB9A P51151 1/20 0.48
NPY2R P49146 1/20 0.44
GLS O94925 1/20 0.44
ADRA1D P25100 2/20 0.43
IDH1 O75874 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL7345698 1.00 CYP2A6 (0.56) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL368353 0.95 CYP2A6 (0.55) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL9347774 0.93 CYP2A6 (0.53) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL1687607 0.93 CYP2A6 (0.53) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL9347724 0.93 CYP2A6 (0.53) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL24614167 0.93 CYP2A6 (0.53) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL6963172 0.89 CYP2A6 (0.60) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL7340276 0.89 CYP2A6 (0.60) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL18650053 0.84 CYP2A6 (0.51) CYP2A6ASIC3LOXL2ADRB2AGXT
Carbamic Acid SCHEMBL9681965 0.83 RAB9A (0.48) CYP2A6ASIC3LOXL2ADRB2AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116676101-A Sulfur-containing low-temperature molten salt and application thereof in removal of aromatic sulfides in fuel oil 安阳工学院 2023-09-01 CN disclosed
US-10651400-B2 Organic semiconductor element, manufacturing method thereof, composition for forming organic semiconductor film, and method of manufacturing organic semiconductor film FUJIFILM CORPORATION (JP) 2020-05-12 US disclosed
US-20170338425-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM THE UNIVERSITY OF TOKYO (JP) 2017-11-23 US disclosed
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-8048982-B2 Method for producing aromatic compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-01 US disclosed
CN-101001900-B Process for producing aromatic compound polymer SUMITOMO CHEMICAL CO 2011-04-20 CN disclosed
CN-101914111-A The preparation method of aromatic compound polymer SUMITOMO CHEMICAL CO 2010-12-15 CN disclosed
EP-2241547-A1 Method for producing aromatic compound polymer Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
EP-2241548-A1 Vanadium di-nuclear complex Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
EP-0819125-B1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 2003-06-18 EP disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 US disclosed
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed
US-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 US disclosed
US-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-09-13 US disclosed
EP-1048657-A1 Thienyl-, furyl-, pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-02 EP disclosed
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 US disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 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 (6 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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 CYP2A6 3363/4885ASIC3 1684/4885LOXL2 3837/4885
US-10651400-B2 Organic semiconductor element, manufacturing method thereof, composition for forming organic semiconductor film, and method of manufacturing organic semiconductor film SLCO2A1, SEM1, OR10J3 CYP2A6 1627/4885ASIC3 271/4885LOXL2 1447/4885
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE HCAR1, HCAR2, PAICS CYP2A6 42/4885ASIC3 1552/4885LOXL2 1604/4885
US-20170338425-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM SLCO2A1, SEM1, OR10J3 CYP2A6 1627/4885ASIC3 271/4885LOXL2 1447/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR CYP2A6 353/4885ASIC3 1821/4885LOXL2 2082/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 CYP2A6 753/4885ASIC3 1559/4885LOXL2 3961/4885

“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.