SCHEMBL19667637

SCHEMBL19667637

CC1CN(C(=O)O)C(C(C)(C)C)c2c(OCc3ccccc3)cc(Br)c(F)c21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.38
KDM1A O60341 6/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GLRA1 P23415 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 2/20 0.35
PTGER1 P34995 2/20 0.34
CYP2C9 P11712 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
SCHEMBL19667424 0.87 ERN1 (0.37) S1PR5KDM1AGLRA1
SCHEMBL19667318 0.87 S1PR5 (0.37) S1PR5KDM1AHTR2CGLRA1PTGER1
SCHEMBL19667459 0.85 KDM1A (0.44) S1PR5KDM1ABRD4PTGER1
SCHEMBL29118112 0.77 KDM1A (0.40) S1PR5KDM1AHTR2AHTR2CGLRA1
SCHEMBL29118100 0.77 S1PR5 (0.39) S1PR5KDM1AHTR2AHTR2CGLRA1
SCHEMBL30207830 0.75 TLR9 (0.41) S1PR5KDM1AGLRA1MEN1KMT2A
SCHEMBL19667638 0.75 TLR9 (0.41) S1PR5KDM1AGLRA1MEN1KMT2A
SCHEMBL30207906 0.74 TLR9 (0.38) S1PR5KDM1AHTR2AHTR2C
SCHEMBL19667164 0.74 TLR9 (0.38) S1PR5KDM1AHTR2AHTR2C
SCHEMBL19667163 0.72 S1PR5 (0.36) S1PR5KDM1ABRD4PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
US-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2020-07-14 US disclosed
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-04-18 US disclosed
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 (4 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-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP S1PR5 3942/4885KDM1A 3216/4885HTR2A 4697/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP S1PR5 3942/4885KDM1A 3216/4885HTR2A 4697/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP S1PR5 3942/4885KDM1A 3216/4885HTR2A 4697/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP S1PR5 3942/4885KDM1A 3216/4885HTR2A 4697/4885

“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.