SCHEMBL4002189

SCHEMBL4002189

COC(=O)C(C)(CCC(C)C)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CACNA1G O43497 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NOS3 P29474 3/20 0.38
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37
TSHR P16473 1/20 0.36
ADRB2 P07550 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
SCHEMBL4006850 0.85 LMNA (0.47) ALDH1A1HPGDCACNA1GSMN1; SMN2MEN1
SCHEMBL13903490 0.85 KCNN4 (0.50) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL4006939 0.83 SMN1; SMN2 (0.41) ALDH1A1HPGDCACNA1GSMN1; SMN2MEN1
SCHEMBL3996686 0.83 HPGD (0.39) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3999384 0.83 HPGD (0.39) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4006310 0.83 HPGD (0.39) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3999614 0.82 HPGD (0.38) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4000408 0.82 HPGD (0.38) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1240135 0.80 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3999102 0.78 POLB (0.38) ALDH1A1HPGDCACNA1GSMN1; SMN2MEN1

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 ALDH1A1 2554/4885HPGD 1608/4885CACNA1G 4855/4885
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 ALDH1A1 311/4885HPGD 475/4885CACNA1G 4329/4885

“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.