SCHEMBL10013399

SCHEMBL10013399

CNC(=O)[C@H](CO)NCc1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 3/20 0.43
CA12 O43570 7/20 0.42
CA2 P00918 7/20 0.42
CA9 Q16790 6/20 0.41
NOX4 Q9NPH5 2/20 0.41
EGFR P00533 1/20 0.41
HSPA5 P11021 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL10013397 0.84 ALDH1A1 (0.51) TSHRKDM4EMEN1KMT2A
SCHEMBL1741412 0.83 POLB (0.49) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL2228729 0.83 POLB (0.49) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL10013398 0.81 ALDH1A1 (0.53) POLBHIF1ATSHRHPGDMEN1
SCHEMBL10013375 0.80 PSMB5 (0.46) CA12CA2CA9KMT2ACA1
SCHEMBL6238689 0.79 PDCD1 (0.44) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL10013396 0.79 MEN1 (0.49) POLBMAPK1TSHRCYP2D6MAPT
SCHEMBL506861 0.79 TLR2 (0.53) CA12CA2CA9HPGDMEN1
SCHEMBL506862 0.79 TLR2 (0.53) CA12CA2CA9HPGDMEN1
SCHEMBL13093374 0.79 TSHR (0.44) POLBMAPK1HIF1ATSHRCYP2D6

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-8853452-B2 Compounds, their syntheses, compositions, and methods to treat cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-07 US disclosed
US-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2012-02-02 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-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER SGMS1, PHOSPHO1, MCL1 POLB 2287/4885MAPK1 4426/4885HIF1A 2468/4885

“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.