SCHEMBL4438593

SCHEMBL4438593

CC(C)(C)C1CCC(C(=O)CCl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
GLA P06280 1/20 0.42
LIPA P38571 1/20 0.42
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
EPHX2 P34913 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL1132078 0.83
SCHEMBL3227932 0.78 HSD11B1 (0.46) HSD11B1GLALIPAEPHX1NPC1
SCHEMBL1836574 0.78 HSD11B1 (0.46) HSD11B1GLALIPAEPHX1NPC1
SCHEMBL4443062 0.78 PTGDR2 (0.32) LIPA
SCHEMBL5728882 0.77 GLA (0.44) HSD11B1GLALIPAEPHX1NPC1
SCHEMBL4433068 0.77 ALDH1A1 (0.47) EPHX1NPC1ALDH1A1MAPTRAB9A
SCHEMBL5859609 0.77 GLA (0.44) HSD11B1GLALIPAEPHX1NPC1
SCHEMBL2900059 0.77 GLA (0.44) HSD11B1GLALIPAEPHX1NPC1
SCHEMBL27549896 0.77 GLA (0.47) HSD11B1GLALIPAEPHX1NPC1
SCHEMBL12384798 0.75 LIPA (0.47) HSD11B1GLALIPAEPHX1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A HSD11B1 201/4885GLA 2358/4885LIPA 705/4885

“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.