SCHEMBL1067698

SCHEMBL1067698

O=C(O)N[C@@H](CSC(F)(F)F)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
MMP1 P03956 3/20 0.43
FCER2 P06734 3/20 0.43
ANPEP P15144 2/20 0.43

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
SCHEMBL2790203 0.87 ANPEP (0.50) MMECA12CA1CA2CA3
SCHEMBL12933707 0.84 CTSS (0.56)
SCHEMBL12933693 0.82 MME (0.52) MMEEGFRSRCMMP8KMT2A
SCHEMBL1068521 0.81 HDAC3 (0.44) MMEKMT2AALDH1A1MEN1CYP2D6
Hydrochloric Acid SCHEMBL2788161 0.81 MME (0.51) MMEEGFRSRCMMP8KMT2A
Hydrochloric Acid SCHEMBL2788157 0.81 MME (0.51) MMEEGFRSRCMMP8KMT2A
SCHEMBL16289738 0.79 CA12 (0.49) MMECA12CA1CA2CA3
SCHEMBL20720018 0.78 MMP8 (0.61) CA12CA1CA2CA3CA4
SCHEMBL12505312 0.78 MMP8 (0.61) CA12CA1CA2CA3CA4
SCHEMBL20485574 0.76 CA12 (0.54) CA12CA1CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868206-B2 Trihalomethionine derivative and pharmaceutical product containing the same National University Corporation, Gunma University (JP) 2011-01-11 US disclosed
US-20100076224-A1 NOVEL TRIHALOMETHIONINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2010-03-25 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-20100076224-A1 NOVEL TRIHALOMETHIONINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME CTH, MTR, BHMT MME 772/4885CA12 4538/4885CA1 3851/4885

“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.