SCHEMBL4996644

SCHEMBL4996644

COC(=O)c1cc(C(C(=O)O)(C(=O)O)C(C)(C)C)c(N)c(C(C)(C)C)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.37
SOS1 Q07889 1/20 0.36
KDM4E B2RXH2 5/20 0.35
POLB P06746 1/20 0.35
GAA P10253 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
IKBKB O14920 1/20 0.33
ABL1 P00519 1/20 0.33
CISD2 Q8N5K1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4996473 0.80 SMN1; SMN2 (0.33) SOS1ALDH1A1HPGDMEN1KMT2A
SCHEMBL5006585 0.75 KDM4E (0.40) CFTRKDM4EPOLBGAAALDH1A1
SCHEMBL3022573 0.68 CDK8 (0.32) KDM4EPOLBALDH1A1MAPTHPGD
SCHEMBL3005779 0.67 KDM4E (0.35) KDM4E
SCHEMBL18149338 0.67 KDM4E (0.46) CFTRSOS1KDM4EPOLBGAA
SCHEMBL913269 0.66 KDM4E (0.49) CFTRSOS1KDM4EPOLBGAA
SCHEMBL11511898 0.66 KDM4E (0.49) CFTRKDM4EPOLBGAAALDH1A1
SCHEMBL1251374 0.66 KDM4E (0.53) CFTRSOS1KDM4EPOLBGAA
SCHEMBL17378801 0.65 SOS1 (0.43) CFTRSOS1KDM4EPOLBGAA
SCHEMBL7595297 0.64 CFTR (0.50) CFTRSOS1KDM4EMAPT

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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A CFTR 3007/4885SOS1 962/4885KDM4E 3508/4885

“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.