SCHEMBL6837022

SCHEMBL6837022

O=S(=O)(CCN1CCCCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 2/20 0.51
LOX P28300 3/20 0.50
MMP1 P03956 1/20 0.48
HRH3 Q9Y5N1 6/20 0.47
LTA4H P09960 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL2921597 0.80 ESR1 (0.58) ALDH1A1LOXHRH3MEN1KMT2A
SCHEMBL56319 0.80 LOX (0.57) ALDH1A1LOXHRH3MEN1KMT2A
SCHEMBL13604236 0.79 KMT2A (0.71) ALDH1A1LOXLTA4HMEN1KMT2A
SCHEMBL2922255 0.78 ESR1 (0.56) ALDH1A1LOXLTA4HMEN1KMT2A
SCHEMBL14476103 0.77 MEN1 (0.73) ALDH1A1LOXLTA4HMEN1KMT2A
SCHEMBL8423201 0.76 SMN1; SMN2 (0.60) ALDH1A1KDM4ELOXHRH3LTA4H
SCHEMBL8412814 0.76 ESR1 (0.52) ALDH1A1LOXMEN1KMT2APOLB
SCHEMBL6469273 0.76 HRH3 (0.52) LOXHRH3LTA4HMEN1KMT2A
SCHEMBL10720394 0.75 POLB (0.51) ALDH1A1LOXMEN1KMT2AKCNH2
SCHEMBL12015819 0.74 LOX (0.51) ALDH1A1LOXMEN1KMT2ASIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759511-B2 A CARBONIC ACID 4-NITRO-PHENYL ESTER 2-(4-TRIFLULOROMETHYL-PHENYLSULFANYL)-ETHYL ESTER AS CHEMICAL INTERMEDIATES; AMIDATION, CARBOXYLATION, SULFONATION HANCHEM CO., LTD. (KR) 2004-07-06 US disclosed
US-20030220469-A1 Novel compound used as an amino-protecting group, process for preparing the same, and synthetic method of a peptide using the same HANCHEM CO., LTD. (KR) 2003-11-27 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-20030220469-A1 Novel compound used as an amino-protecting group, process for preparing the same, and synthetic method of a peptide using the same NGLY1, VIP, BCAT2 ALDH1A1 3147/4885KDM4E 3394/4885EPHX2 1346/4885

“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.