SCHEMBL1633968

SCHEMBL1633968

COC(=O)C(C#N)=C(C)c1ccc(F)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
CLK1 P49759 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK10 P53779 3/20 0.38
TSHR P16473 2/20 0.38
DHODH Q02127 3/20 0.38
TP53 P04637 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37

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
SCHEMBL1633966 1.00 HPGD (0.44) HPGDCLK1NPC1RAB9ASMN1; SMN2
SCHEMBL14340599 0.85 HPGD (0.38) HPGDNPC1RAB9ASMN1; SMN2MAPK10
SCHEMBL4543403 0.83 CTSD (0.47) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL12762770 0.80 NPC1 (0.38) HPGDCLK1NPC1RAB9ASMN1; SMN2
SCHEMBL13823475 0.77 CTSL (0.38) CLK1NPC1RAB9ASMN1; SMN2SCN8A
SCHEMBL30134039 0.74 SMN1; SMN2 (0.49) HPGDCLK1NPC1RAB9ASMN1; SMN2
SCHEMBL1020142 0.74 SMN1; SMN2 (0.49) HPGDCLK1NPC1RAB9ASMN1; SMN2
SCHEMBL21807118 0.74 SMN1; SMN2 (0.43) HPGDCLK1NPC1RAB9ASMN1; SMN2
SCHEMBL18078302 0.73 HPGD (0.76) HPGDSMN1; SMN2MAPK10TSHRLMNA
SCHEMBL28280523 0.73 HPGD (0.76) HPGDSMN1; SMN2MAPK10TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212040-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-7932392-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7553966-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
EP-1490062-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2007-12-19 EP disclosed
US-7268152-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20060189647-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
US-20050282881-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-22 US disclosed
US-6903215-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20050059714-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-17 US disclosed
EP-1490062-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
EP-1490317-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-12 US disclosed
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003082787-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 WO disclosed
WO-2003082280-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 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 (5 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-20060189647-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof NR3C1, NR3C2, MC2R HPGD 1178/4885CLK1 4465/4885NPC1 2019/4885
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R HPGD 1133/4885CLK1 4502/4885NPC1 1656/4885
US-20050059714-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R HPGD 1224/4885CLK1 4614/4885NPC1 2360/4885
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R HPGD 1133/4885CLK1 4502/4885NPC1 1656/4885
US-20050282881-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R HPGD 1029/4885CLK1 4435/4885NPC1 2283/4885

“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.