SCHEMBL6280917

SCHEMBL6280917

CC1(C)C(N)=C(c2ccc(F)cc2)S(=O)(=O)N1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMPD2 Q01433 3/20 0.37
DHFR P00374 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
ELANE P08246 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6280333 0.90 GAA (0.39) AMPD2CA12CA9ALDH1A1SMN1; SMN2
SCHEMBL5001010 0.69 CACNA1G (0.38) ALDH1A1KMT2ADRD2SIGMAR1
SCHEMBL2357828 0.61 NR1H3 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL12206274 0.59 NR1H3 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL18931674 0.58 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7489542 0.58 GAA (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AELANE
SCHEMBL5435554 0.58 PTGDR2 (0.54) ALDH1A1
SCHEMBL28824747 0.58 CHRM2 (0.41) AMPD2MEN1KMT2ADRD2HTR7
SCHEMBL5519932 0.58 GAA (0.41) AMPD2ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL6548965 0.57 GAA (0.47) AMPD2CA12CA9ALDH1A1MEN1

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-6849744-B2 α-phenyl-β-keto sulfones BAYER AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
US-20040063669-A1 Alpha-phenyl-beta-ketosulfone FISCHER REINER (DE) 2004-04-01 US disclosed
US-6670385-B1 Fungicides, herbicides and insecticides for crops BAYER AKTIENGESELLSCHAFT (DE) 2003-12-30 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-20040063669-A1 Alpha-phenyl-beta-ketosulfone CYP2S1, SULT1E1, SKP1 AMPD2 4527/4885DHFR 796/4885CA12 4714/4885

“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.