SCHEMBL6828535

SCHEMBL6828535

CONS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD11B1 P28845 1/20 0.48
OXTR P30559 1/20 0.48
AVPR1A P37288 1/20 0.48
MMP1 P03956 2/20 0.47
CYP19A1 P11511 1/20 0.47
IDO1 P14902 1/20 0.47
KIF11 P52732 2/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.45
SLC1A3 P43003 1/20 0.44

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
SCHEMBL14349659 0.83 ALDH1A1 (0.63) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL5189385 0.80 CA1 (0.64) CA1CA2MEN1KMT2AMMP1
SCHEMBL2371994 0.79 ALDH1A1 (0.68) CA1CA2HSD11B1OXTRAVPR1A
SCHEMBL29288589 0.79 CA1 (0.55) CA1CA2MEN1KMT2AMAPK1
SCHEMBL13588309 0.78 CA1 (0.56) CA1CA2MEN1KMT2AHSD11B1
SCHEMBL14349434 0.77 ALDH1A1 (0.43) CA1CA2MEN1KMT2AMMP1
SCHEMBL22702710 0.77 MMP1 (0.51) CA1CA2MEN1KMT2AALOX15
SCHEMBL6554634 0.76 GAA (0.59) CA1CA2MEN1KMT2AALOX15
SCHEMBL29098412 0.76 MMP1 (0.50) CA1CA2MEN1KMT2AALOX15
SCHEMBL24361297 0.76 CA1 (0.54) CA1CA2MEN1KMT2AALOX15

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-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 CA1 971/4885CA2 790/4885MEN1 2809/4885

“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.