SCHEMBL1026064

SCHEMBL1026064

CC(C)(C)N(CCNC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA14 Q9ULX7 2/20 0.45
EPHX1 P07099 1/20 0.44
CA3 P07451 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GSTO1 P78417 1/20 0.32

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
SCHEMBL19210479 0.81 CYP2D6 (0.32) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL7780157 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL13724288 0.77 KDM4A (0.32)
SCHEMBL28931268 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL17849000 0.77 MEN1 (0.37) MEN1KMT2A
SCHEMBL1027215 0.75 MEN1 (0.32) MEN1KMT2A
SCHEMBL14497576 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3559069 0.75 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2721332 0.75 PRMT3 (0.37) MEN1KMT2A
SCHEMBL17292236 0.74 CA1 (0.34) CA2

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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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 (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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885SMN1; SMN2 2462/4885POLB 1266/4885

“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.