SCHEMBL2487337

SCHEMBL2487337

COC(=O)C(O)C(NCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP3A4 P08684 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 2/20 0.45
UTS2R Q9UKP6 2/20 0.45
CNR2 P34972 1/20 0.44
AKT1 P31749 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOS2 P35228 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
SCHEMBL2491875 0.90 KMT2A (0.57) CYP2C19MEN1KMT2ACYP3A4L3MBTL1
SCHEMBL2491083 0.87 CNR2 (0.51) TDP1CYP2C19MEN1KMT2ACYP3A4
SCHEMBL2488953 0.83 CYP2C9 (0.46) CYP2C19CYP2D6MEN1KMT2ACYP2C9
SCHEMBL9427609 0.78 ACP3 (0.50) CYP2C19CYP2D6MEN1KMT2ACYP1A2
SCHEMBL8430372 0.78 ACP3 (0.50) CYP2C19CYP2D6MEN1KMT2ACYP1A2
SCHEMBL5273602 0.77 CYP1A2 (0.62) TDP1CYP2C19CYP2D6MEN1KMT2A
SCHEMBL10572282 0.77 KMT2A (0.70) TDP1CYP2C19CYP2D6MEN1KMT2A
SCHEMBL6462875 0.77 GABRB1 (0.51) TDP1CYP2C19CYP2D6MEN1KMT2A
SCHEMBL2524937 0.76 TSHR (0.47) CYP2C19CYP2D6MEN1KMT2ACYP2C9
SCHEMBL20442882 0.76 MAPT (0.54) CYP2C19CYP2D6MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624051-B2 Process for the preparation of isoserine derivatives INDENA S.P.A. (IT) 2014-01-07 US disclosed
US-20130090493-A1 PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES INDENA S.P.A (IT) 2013-04-11 US disclosed
EP-2558439-A1 A PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES Indena S.p.A. (IT) 2013-02-20 EP disclosed
EP-2380871-B1 A process for the preparation of isoserine derivatives INDENA SPA (IT) 2013-01-09 EP disclosed
EP-2380871-A1 A process for the preparation of isoserine derivatives Indena S.p.A. (IT) 2011-10-26 EP disclosed
WO-2011128353-A1 A PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES INDENA S.P.A. (IT) 2011-10-20 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-20130090493-A1 PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES ICMT, PGLS, PCMT1 TDP1 3874/4885CYP2C19 3304/4885CYP2D6 3029/4885

“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.