SCHEMBL4101964

SCHEMBL4101964

CC(C)(C)c1ccccc1-c1ccc(C(N)=O)c(F)c1S(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
F10 P00742 6/20 0.33
CA12 O43570 5/20 0.33
CA7 P43166 5/20 0.33
CA13 Q8N1Q1 5/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
BCAT2 O15382 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA9 Q16790 3/20 0.32
CA5A P35218 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.32
PDK2 Q15119 1/20 0.31

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
SCHEMBL6239020 0.78 BCAT2 (0.49) CA1CA2CA12CA7CA13
SCHEMBL18131330 0.71 CA2 (0.42) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL8534063 0.68 CA1 (0.42) CA1CA2CA12CA7CA13
SCHEMBL5724227 0.68 ALOX5AP (0.47) CA1CA2F10CA12CA7
SCHEMBL1002129 0.67 ALDH1A1 (0.50) CA2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL5724081 0.67 ALOX5AP (0.41) CA1CA2F10CA9CA5A
SCHEMBL29733181 0.66 PARP1 (0.58) KEAP1NFE2L2ALDH1A1BCAT2HPGD
Hydrochloric Acid SCHEMBL20576674 0.65 ALDH1A1 (0.48) CA2KEAP1NFE2L2ALDH1A1TSHR
Bromide SCHEMBL6851251 0.65 ALDH1A1 (0.48) CA2KEAP1NFE2L2ALDH1A1TSHR
Potassium SCHEMBL30882886 0.65 ALDH1A1 (0.48) CA2KEAP1NFE2L2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 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-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI CA1 945/4885CA2 2885/4885F10 10/4885

“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.