SCHEMBL4000097

SCHEMBL4000097

CCOC(=O)C(C(=O)OCC)C(=O)C(C)(CC1CCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
PIN1 Q13526 1/20 0.38
CHRM3 P20309 4/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM4 P08173 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL4007594 0.97 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4TSHRPOLB
SCHEMBL4004647 0.96 TSHR (0.44) SLC6A2SLC6A3SLC6A4TSHRPOLB
SCHEMBL3998876 0.83 TSHR (0.42) SLC6A2SLC6A3SLC6A4TSHRL3MBTL1
SCHEMBL4006652 0.79 CHRM3 (0.44) ALDH1A1MAPTCHRM3CHRM2CHRM1
SCHEMBL4000449 0.78 PIN1 (0.43) TSHRPOLBALDH1A1PIN1CHRM3
SCHEMBL4007259 0.77 PIN1 (0.42) TSHRPOLBL3MBTL1ALDH1A1PIN1
SCHEMBL4127273 0.77 PIN1 (0.42) TSHRPOLBL3MBTL1ALDH1A1PIN1
SCHEMBL4123392 0.77 MAPT (0.42) TSHRPOLBL3MBTL1MAPTPIN1
SCHEMBL3998747 0.77 KCNN4 (0.47) POLBALDH1A1CHRM3CHRM2CHRM1
SCHEMBL13903420 0.76 PIN1 (0.44) TSHRPOLBALDH1A1PIN1CHRM3

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 SLC6A2 4691/4885SLC6A3 4436/4885SLC6A4 4788/4885
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 SLC6A2 4654/4885SLC6A3 4271/4885SLC6A4 4732/4885

“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.