SCHEMBL5446405

SCHEMBL5446405

CC(C)COc1ncccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NAPRT Q6XQN6 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
DHODH Q02127 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MYC P01106 1/20 0.43

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
SCHEMBL7432976 0.98 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL19243949 0.88 MKNK2 (0.48) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL7432981 0.84 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1NPC1MAPK8
SCHEMBL16445032 0.84 NAPRT (0.50) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL123523 0.81 L3MBTL1 (0.64) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL15694859 0.80 KDM4E (0.52) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL1671161 0.80 KDM4E (0.52) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL25270601 0.79 KDM4E (0.50) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL1505205 0.79 KDM4E (0.50) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL3084388 0.79 L3MBTL1 (0.50) ALDH1A1TSHRKDM4ETDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
US-6699991-B2 A ?ONE-POT? PROCESS IS DESCRIBED HEREIN FOR THE PRODUCTION OF PYRAZOLE COMPOUNDS OF GENERAL FORMULA (II) COMPRISING THE STEPS OF REACTING A COMPOUND OF GENERAL FORMULA (III) WITH AN ACYLATING AGENT IN THE PRESENCE OF A BASE AND AN OPTIONAL PFIZER INC. 2004-03-02 US disclosed
US-20030144530-A1 Novel process for the preparation of pyrazoles LAURENCE JAMES HARRIS (GB) 2003-07-31 US disclosed
US-20020173502-A1 Pharmaceutically active compounds PFIZER INC 2002-11-21 US disclosed
WO-2002072586-A1 PYRAZOLO'4,3-D-PYRIMIDINE FOR INHIBITING CGMP PDE PFIZER LIMITED (GB) 2002-09-19 WO disclosed
US-20020111498-A1 Novel process for the preparation of pyrazoles JAMES HARRIS LAURENCE (GB) 2002-08-15 US disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
US-6407259-B1 REACTING DIETHER COMPOUND WITH ACYLATING AGENT COMPRISING ACID ANHYDRIDE OR ACID HALIDE DERIVATIVE TO FORM PYRAZOLE DERIVATIVE PFIZER INC. 2002-06-18 US disclosed
US-20020022732-A1 Novel process for the preparation of pyrazoles PFIZER INC. 2002-02-21 US disclosed
EP-1176142-A1 Process for the preparation of pyrazoles PFIZER INC. (US) 2002-01-30 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 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-20020173502-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE3B ALDH1A1 150/4885TSHR 3245/4885KDM4E 2357/4885
US-20020022732-A1 Novel process for the preparation of pyrazoles NAT1, CYP2F1, CYP51A1 ALDH1A1 399/4885TSHR 2890/4885KDM4E 2795/4885
US-20030144530-A1 Novel process for the preparation of pyrazoles NAT1, CYP2F1, CYP51A1 ALDH1A1 399/4885TSHR 2890/4885KDM4E 2795/4885
US-20020111498-A1 Novel process for the preparation of pyrazoles NAT1, CYP2F1, CYP51A1 ALDH1A1 399/4885TSHR 2890/4885KDM4E 2795/4885
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 ALDH1A1 1230/4885TSHR 3697/4885KDM4E 2994/4885

“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.