SCHEMBL6868253

SCHEMBL6868253

C[S+]([O-])CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
TP53 P04637 1/20 0.40
IDO1 P14902 1/20 0.40
AOC3 Q16853 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL5583576 0.86 L3MBTL1 (0.45) HTR2AAOC3MAOAMAOB
SCHEMBL31651216 0.85 L3MBTL1 (0.48) MAOAMAOB
SCHEMBL12040642 0.83 SIGMAR1 (0.50) MAOAMAOB
SCHEMBL12040615 0.83 SIGMAR1 (0.50) MAOAMAOB
SCHEMBL10160129 0.80 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL40995 0.80 TP53 (0.43) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL28529237 0.80 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL349504 0.80 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3387191 0.80 TP53 (0.43) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL15579733 0.80 TP53 (0.43) ALDH1A1HPGDALOX15ALOX12CASP1

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
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-05-04 US disclosed
CN-104703960-A Fluorine-containing ester and preparation method thereof DU PONT 2015-06-10 CN disclosed
WO-2011045702-A1 PYRROLO[2,3-D] PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-04-21 WO disclosed
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 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 (1 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-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 ALDH1A1 436/4885HPGD 2868/4885ALOX15 333/4885

“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.