SCHEMBL6660474

SCHEMBL6660474

CS(=O)(=O)N(c1ccc(F)cc1Br)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
PER2 O15055 10/20 0.35
CRY1 Q16526 10/20 0.35
CRY2 Q49AN0 10/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
EPAS1 Q99814 1/20 0.34
AGTR1 P30556 1/20 0.33
PKM P14618 1/20 0.33
PTGS2 P35354 2/20 0.33
APLNR P35414 1/20 0.33
PTGS1 P23219 1/20 0.33
THRB P10828 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
SCHEMBL23084436 0.85 PKM (0.32) KMT2APKM
SCHEMBL6659132 0.82 ALDH1A3 (0.37) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL21048901 0.74 PTGS2 (0.36) KMT2APER2CRY1CRY2EPAS1
SCHEMBL2369020 0.71 KMT2A (0.49) KMT2AEPAS1PKMPTGS2PTGS1
SCHEMBL29545876 0.71 KMT2A (0.49) KMT2AEPAS1PKMPTGS2PTGS1
SCHEMBL124345 0.70 ALDH1A1 (0.33) KMT2APER2
SCHEMBL16914845 0.70 CES2 (0.38) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL7046878 0.69 PSEN1 (0.35) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL23084391 0.69 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29757454 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244615-B1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2004-08-11 EP disclosed
US-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-01-23 US disclosed
EP-1244615-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES Bayer Aktiengesellschaft (DE) 2002-10-02 EP disclosed
WO-2001047873-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 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-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates DDT, PFAS, DAO KMT2A 841/4885PER2 4072/4885CRY1 4244/4885

“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.