SCHEMBL734031

SCHEMBL734031

CCOC(=O)CCC(C#N)(CCC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.46
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
KCNA3 P22001 1/20 0.39
OPRM1 P35372 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PPID Q08752 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TOP2A P11388 1/20 0.38
ALOX5 P09917 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 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
SCHEMBL11845684 0.96 SMN1; SMN2 (0.50) SMN1; SMN2POLBCYP4F2CYP4A11KCNA3
SCHEMBL11847067 0.89 SMN1; SMN2 (0.47) SMN1; SMN2POLBCYP4F2CYP4A11KCNA3
SCHEMBL4431144 0.89 SMN1; SMN2 (0.40) SMN1; SMN2POLBCYP4F2CYP4A11KCNA3
SCHEMBL4431094 0.87 KYAT1 (0.40) SMN1; SMN2POLBALDH1A1MEN1KMT2A
SCHEMBL8021565 0.86 SMN1; SMN2 (0.39) SMN1; SMN2POLBCYP4F2CYP4A11PPID
SCHEMBL11075302 0.85 CYP2C19 (0.40) SMN1; SMN2OPRM1EBPSIGMAR1ALDH1A1
SCHEMBL7750624 0.83 SMN1; SMN2 (0.36) SMN1; SMN2POLBALDH1A1KMT2AMAPT
SCHEMBL7744784 0.83 SMN1; SMN2 (0.34) SMN1; SMN2POLBCYP4F2CYP4A11ALDH1A1
SCHEMBL7826967 0.82 KCNA3 (0.52) SMN1; SMN2POLBCYP4F2CYP4A11KCNA3
SCHEMBL734030 0.81 KCNN4 (0.42) SMN1; SMN2POLBKCNA3OPRM1EBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399503-B2 Spirocyclic azaindole derivatives GRUENENTHAL GMBH (DE) 2013-03-19 US disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
US-20090156593-A1 Spirocyclic Azaindole Derivatives GRUNENTHAL GMBH (DE) 2009-06-18 US 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-20090156593-A1 Spirocyclic Azaindole Derivatives AZI2, TPMT, AADAC SMN1; SMN2 4555/4885POLB 4256/4885CYP4F2 415/4885
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 SMN1; SMN2 4848/4885POLB 3818/4885CYP4F2 55/4885

“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.