SCHEMBL12833532

SCHEMBL12833532

C[C@@H]1CCS(=O)(=O)C[C@@H]1NC(=O)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLLT1 Q03111 1/20 0.58
▸ PYGL P06737 4/20 0.48
▸ SYK P43405 1/20 0.47
▸ GHSR Q92847 1/20 0.47
▸ PYGM P11217 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45
▸ SMYD3 Q9H7B4 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
SCHEMBL12035678 0.87 MLLT1 (0.58) MLLT1PYGLSYKGHSRPYGM
SCHEMBL4265020 0.85 MLLT1 (0.51) MLLT1PYGLSYKGHSRPYGM
SCHEMBL12035676 0.85 MLLT1 (0.51) MLLT1PYGLSYKGHSRPYGM
SCHEMBL14817861 0.81 MLLT1 (0.76) MLLT1PYGLGHSRPYGMMEN1
SCHEMBL12036257 0.75 F10 (0.72) F10
SCHEMBL12036256 0.75 F10 (0.72) F10
SCHEMBL12036250 0.75 F10 (0.72) F10
SCHEMBL13748039 0.75 F10 (0.72) F10
SCHEMBL12035670 0.74 SMYD3 (0.61) PYGLSYKPYGMHRH4SMYD3
SCHEMBL15506798 0.74 MLLT1 (0.58) MLLT1ALDH1A1LMNAF10

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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — 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-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MLLT1 1088/4885PYGL 1509/4885SYK 1228/4885

“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.

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