SCHEMBL6038889

SCHEMBL6038889

[NH]S(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.50
PKLR P30613 3/20 0.50
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
IKBKB O14920 1/20 0.36
SLC40A1 Q9NP59 2/20 0.36
KEAP1 Q14145 1/20 0.36
BCHE P06276 1/20 0.34
LMNA P02545 1/20 0.34
NFE2L2 Q16236 2/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
PSIP1 O75475 1/20 0.33
KDM2B Q8NHM5 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
SCHEMBL3591022 0.76 PKM (0.52) PKMPKLRCES2CES1IKBKB
SCHEMBL532887 0.74 PKM (0.50) PKMPKLRCES2CES1IKBKB
SCHEMBL4139118 0.74 PKM (0.50) PKMPKLRCES2CES1IKBKB
SCHEMBL795356 0.74 PKM (0.50) PKMPKLRCES2CES1IKBKB
SCHEMBL677588 0.74 CA1 (0.52) PKMPKLRPTGES2
SCHEMBL3926685 0.72 PKM (0.48) PKMPKLRCES2CES1IKBKB
SCHEMBL3926679 0.72 PKM (0.48) PKMPKLRCES2CES1IKBKB
SCHEMBL1299168 0.72 KAT6A (0.46) NFE2L2
SCHEMBL12727293 0.70 PKM (0.47) PKMPKLRCES2CES1KEAP1
SCHEMBL2021516 0.69 PKM (0.44) PKMPKLRCES2CES1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed
EP-0413224-A1 Fungicidal agent containing 1,2-naphthoquinones BASF Aktiengesellschaft (DE) 1991-02-20 EP 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-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 PKM 4471/4885PKLR 1705/4885CES2 1514/4885

“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.