SCHEMBL4000449

SCHEMBL4000449

CCCC(C)(C(=O)C(C(=O)OCC)C(=O)OCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 2/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
CYP2C19 P33261 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
NFKB1 P19838 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MMP8 P22894 3/20 0.40

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
SCHEMBL4007055 0.91 KIF11 (0.42) PIN1MEN1KMT2ANPC1POLB
SCHEMBL4007259 0.90 PIN1 (0.42) PIN1MEN1KMT2ANPC1POLB
SCHEMBL4127273 0.90 PIN1 (0.42) PIN1MEN1KMT2ANPC1POLB
SCHEMBL4006311 0.87 PIN1 (0.40) PIN1MEN1KMT2ANPC1POLB
SCHEMBL3999030 0.87 PIN1 (0.40) PIN1MEN1KMT2ANPC1POLB
SCHEMBL4000607 0.87 PIN1 (0.40) PIN1MEN1KMT2ANPC1POLB
SCHEMBL3999925 0.87 PIN1 (0.40) PIN1MEN1KMT2ANPC1POLB
SCHEMBL3998039 0.85 PIN1 (0.43) PIN1MEN1KMT2ANPC1POLB
SCHEMBL4123392 0.84 MAPT (0.42) PIN1MEN1KMT2ANPC1POLB
SCHEMBL1627161 0.83 PIN1 (0.46) PIN1MEN1KMT2ANPC1POLB

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 2340/4885MEN1 4787/4885KMT2A 4638/4885
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 1970/4885MEN1 4794/4885KMT2A 3557/4885

“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.