SCHEMBL5189385

SCHEMBL5189385

CONS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
MMP1 P03956 1/20 0.64
MMP2 P08253 1/20 0.64
MMP9 P14780 1/20 0.64
MMP8 P22894 1/20 0.64
MMP13 P45452 1/20 0.64
NPSR1 Q6W5P4 2/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
AR P10275 1/20 0.53
ESR2 Q92731 1/20 0.53
HSD17B2 P37059 1/20 0.52
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
IDH2 P48735 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49

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
SCHEMBL27621985 0.82 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL5184452 0.81 CA1 (0.70) CA1CA2MMP1MMP2MMP9
SCHEMBL29537299 0.81 CA1 (0.74) CA1CA2MMP1MMP2MMP9
SCHEMBL29888356 0.80 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL2233779 0.80 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL26282644 0.80 CA1 (0.63) CA1CA2MMP1MMP2MMP9
SCHEMBL6828535 0.80 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL16477696 0.79 CA1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL8229584 0.78 CA1 (1.00) CA1CA2MMP1MMP2MMP9
SCHEMBL421918 0.78 CA1 (0.70) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807081-A1 CYCLOHEXYLDIAMINES AS SELECTIVE ALPHA 1A/1D ADRENORECEPTOR ANTAGONISTS FOR THE TREATMENT OF BENIGN PROSTATIC HYPERTROPHY AND LOWER URINARY TRACT SYMPTOMS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP disclosed
US-20060173015-A1 Cyclohexyldiamines as selective alpha 1a/1d adrenoreceptor antagonists for the treatment of benign prostatic hypertrophy and lower urinary tract symptoms JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-03 US disclosed
WO-2006050048-A1 CYCLOHEXYLDIAMINES AS SELECTIVE ALPHA 1A/1D ADRENORECEPTOR ANTAGONISTS FOR THE TREATMENT OF BENIGN PROSTATIC HYPERTROPHY AND LOWER URINARY TRACT SYMPTOMS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO disclosed
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 (2 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-20060173015-A1 Cyclohexyldiamines as selective alpha 1a/1d adrenoreceptor antagonists for the treatment of benign prostatic hypertrophy and lower urinary tract symptoms ADRA1D, ADRA1A, ADRB1 CA1 4138/4885CA2 2458/4885MMP1 2419/4885
US-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 CA1 971/4885CA2 790/4885MMP1 1038/4885

“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.