SCHEMBL1752394

SCHEMBL1752394

CCOC(=O)C(C#N)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
PIN1 Q13526 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP2C9 P11712 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL537543 0.84 GAA (0.43) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8355327 0.84 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL1441850 0.82 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL14192720 0.82 KMT2A (0.34) ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL10920266 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10902100 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL21848010 0.81 SLC22A6 (0.35) SMN1; SMN2LMNA
SCHEMBL890388 0.79 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4381520 0.78 MAPT (0.37) MAPT
SCHEMBL28998284 0.78 AKR1B1 (0.36) ALDH1A1TSHRMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
EP-1893581-B1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LTD (GB) 2010-01-27 EP disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 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-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 ALDH1A1 565/4885TSHR 3119/4885MEN1 3905/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 ALDH1A1 565/4885TSHR 3119/4885MEN1 3905/4885

“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.