SCHEMBL3999925

SCHEMBL3999925

CCOC(=O)C(C(=O)OCC)C(=O)[C@](C)(CCC(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
MMP8 P22894 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL4000607 1.00 PIN1 (0.40) PIN1TDP1MEN1NPC1KMT2A
SCHEMBL3999030 1.00 PIN1 (0.40) PIN1TDP1MEN1NPC1KMT2A
SCHEMBL4000449 0.87 PIN1 (0.43) PIN1TDP1MEN1NPC1KMT2A
SCHEMBL4004884 0.86 POLB (0.38) TDP1MEN1NPC1KMT2APOLB
SCHEMBL3999102 0.86 POLB (0.38) TDP1MEN1NPC1KMT2APOLB
SCHEMBL4123392 0.86 MAPT (0.42) PIN1TDP1MEN1NPC1KMT2A
SCHEMBL4127273 0.86 PIN1 (0.42) PIN1TDP1MEN1NPC1KMT2A
SCHEMBL4007259 0.86 PIN1 (0.42) PIN1TDP1MEN1NPC1KMT2A
SCHEMBL3999630 0.85 TDP1 (0.42) TDP1MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL4007055 0.84 KIF11 (0.42) PIN1TDP1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 US disclosed
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 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 (2 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT PIN1 2340/4885TDP1 3264/4885MEN1 4787/4885
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT PIN1 1970/4885TDP1 1240/4885MEN1 4794/4885

“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.