SCHEMBL6372736

SCHEMBL6372736

Nc1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.79
CA1 P00915 12/20 0.79
CA2 P00918 12/20 0.79
CA9 Q16790 12/20 0.79
TDP1 Q9NUW8 5/20 0.59
MEN1 O00255 1/20 0.58
ABL1 P00519 1/20 0.58
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
IDE P14735 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
RIN1 Q13671 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53

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
SCHEMBL29897722 0.90 CA12 (0.79) CA12CA1CA2CA9TDP1
SCHEMBL12807414 0.90 CA12 (0.75) CA12CA1CA2CA9TDP1
SCHEMBL9412855 0.89 CA12 (0.75) CA12CA1CA2CA9TDP1
SCHEMBL31578430 0.89 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL14308477 0.87 CA12 (0.72) CA12CA1CA2CA9TDP1
SCHEMBL9412854 0.86 CA12 (0.73) CA12CA1CA2CA9TDP1
SCHEMBL18400069 0.85 CA12 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL21524959 0.85 CA12 (0.78) CA12CA1CA2CA9TDP1
SCHEMBL12735647 0.85 CA12 (0.69) CA12CA1CA2CA9TDP1
SCHEMBL29782832 0.84 CA12 (0.67) CA12CA1CA2CA9TDP1

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-20050180945-A1 Multivalent polymers with chan-terminating binding groups NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US disclosed
WO-2003099835-A1 MULTIVALENT POLYMERS WITH CHAIN-TERMINATING BINDING GROUPS EMORY UNIVERSITY (US) 2003-12-04 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-20050180945-A1 Multivalent polymers with chan-terminating binding groups CHIA, SIGLEC7, HDGF CA12 260/4885CA1 823/4885CA2 487/4885

“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.