SCHEMBL8343330

SCHEMBL8343330

NCCN(CC(=O)O)C(=O)Cn1ccc(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA4 P22748 5/20 0.41
CA9 Q16790 5/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
DUT P33316 8/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 1/20 0.35

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
SCHEMBL27203682 0.88 ALDH1A1 (0.32) ALDH1A1LMNACA1CA2CA4
SCHEMBL14528815 0.82 ALDH1A1 (0.48) ALDH1A1LMNACA1CA2CA4
SCHEMBL13663217 0.80 ALDH1A1 (0.52) ALDH1A1LMNACA1CA2CA4
SCHEMBL13660676 0.79 ALDH1A1 (0.46) ALDH1A1LMNACA1CA2CA4
SCHEMBL5097379 0.78 HPGD (0.42) CA1CA2CA9
SCHEMBL17816970 0.77 MAPT (0.33) ALDH1A1LMNACA1CA2CA4
SCHEMBL19370603 0.76 ALDH1A1 (0.51) ALDH1A1LMNACA1CA2CA4
SCHEMBL2743486 0.76 MAPT (0.42) LMNA
SCHEMBL8343325 0.76 ALDH1A1 (0.43) ALDH1A1LMNACA1CA2CA4
SCHEMBL27203701 0.75 BCL6 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577396-B2 Tolan compound OSAKA UNIVERSITY (JP) 2020-03-03 US disclosed
WO-2017047807-A1 TOLAN COMPOUND 国立大学法人大阪大学 2017-03-23 WO disclosed
US-5977296-A MONOMERS WITH ALIPHATIC CYCLIC STRUCTURE IN THE BACKBONE; FOR INCREASED CONFORMATION RESTRICTION LEADING TO INCREASED BINDING AFFINITY AND SPECIFICITY; FOR DETECTING POINT MUTATIONS, FOR SUPPRESSING WILD TYPE GENES IN AMPLIFICATION NIELSEN, PETER E. (DK) 1999-11-02 US disclosed
WO-1996020212-A2 PEPTIDE NUCLEIC ACID INCORPORATING A CHIRAL BACKBONE BUCHARDT, DORTE (DK) 1996-07-04 WO 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-10577396-B2 Tolan compound TAP1, GRN, TSG101 ALDH1A1 1789/4885LMNA 668/4885CA1 4682/4885

“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.