SCHEMBL4729932

SCHEMBL4729932

CCCOc1cccc(CC(CO)N(C=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 7/20 0.39
GGPS1 O95749 2/20 0.38
MEP1B Q16820 1/20 0.37
KCNH2 Q12809 2/20 0.37
POLB P06746 1/20 0.36
ROCK2 O75116 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ROCK1 Q13464 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
SCHEMBL4728196 0.86 TAAR1 (0.45) KMT2A
SCHEMBL4891509 0.82 L3MBTL1 (0.40) MAPK1L3MBTL1TDP1KMT2ACYP2D6
SCHEMBL4731615 0.81 PNMT (0.41) TSHR
SCHEMBL4729192 0.80 OPRK1 (0.40) MAPK1KMT2ACYP3A4CYP2C9
SCHEMBL4728453 0.73 SLC6A2 (0.35) CYP2D6KCNH2CYP3A4CYP2C9
SCHEMBL4895988 0.70 OPRK1 (0.38) TSHRKMT2ACYP3A4
SCHEMBL4730804 0.70 SMN1; SMN2 (0.37) MAPK1L3MBTL1TSHRKMT2ACYP3A4
SCHEMBL4894642 0.69 HEXA (0.43) MAPK1L3MBTL1KMT2APOLB
SCHEMBL6401312 0.69 CA1 (0.40) L3MBTL1POLBCYP3A4
SCHEMBL15568242 0.68 KMT2A (0.53) MAPK1L3MBTL1TSHRTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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 (1 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR MAPK1 115/4885L3MBTL1 1483/4885TSHR 2398/4885

“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.