SCHEMBL514677

SCHEMBL514677

[CH2]Sc1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 2/20 0.36
NOTUM Q6P988 1/20 0.36
CA2 P00918 1/20 0.36
LRRK2 Q5S007 1/20 0.36
GAA P10253 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.34
NFKB1 P19838 1/20 0.34
KIF11 P52732 1/20 0.34
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29484715 0.80 NOTUM (0.45) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL944340 0.80 ALDH1A1 (0.41) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL8863558 0.80 NOTUM (0.45) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL28938831 0.76 DDB1 (0.39) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL19042431 0.76 ALDH1A1 (0.43) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL18793345 0.76 DDB1 (0.39) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL514678 0.76 STK10 (0.44) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL1801342 0.76 DDB1 (0.39) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL28385353 0.76 LMNA (0.39) DDB1CRBNALDH1A1TDP1POLB
SCHEMBL1891455 0.76 DDB1 (0.42) DDB1CRBNALDH1A1TDP1POLB

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 14 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
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 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
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 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 (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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 DDB1 3465/4885CRBN 1149/4885ALDH1A1 1574/4885

“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.