SCHEMBL4952291

SCHEMBL4952291

COC(=O)c1ccc(-c2ccccc2C#N)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.49
NOTUM Q6P988 1/20 0.49
AR P10275 6/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
PGR P06401 2/20 0.43
P4HB P07237 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4951533 0.84 PDE3B (0.46) PDK2ARPDE3BPDE3APGR
SCHEMBL10907300 0.84 NOTUM (0.66) PDK2NOTUMP4HBKDM4EALDH1A1
SCHEMBL17110468 0.83 NOTUM (0.61) PDK2NOTUMARPGRP4HB
SCHEMBL29653930 0.83 NOTUM (0.61) PDK2NOTUMARPGRP4HB
SCHEMBL2473339 0.83 NOTUM (0.57) NOTUMARPGR
SCHEMBL15999077 0.82 PDK2 (0.44) PDK2ALDH1A1
SCHEMBL320542 0.82 NOTUM (0.54) PDK2NOTUMP4HBGPBAR1AKR1C3
SCHEMBL18356498 0.81 MAPT (0.48) PDK2ARPGRALDH1A1L3MBTL1
SCHEMBL536675 0.80 NOTUM (0.51) PDK2NOTUMP4HBKDM4EALDH1A1
SCHEMBL3903631 0.79 EGFR (0.57) PDK2NOTUMP4HBAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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 (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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 PDK2 3269/4885NOTUM 4619/4885AR 1115/4885

“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.