SCHEMBL21283009

SCHEMBL21283009

COC(=O)CCC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)N=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.39
FOLH1 Q04609 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HTT P42858 1/20 0.34
TACR1 P25103 1/20 0.34
PPARG P37231 1/20 0.33
ABCB1 P08183 1/20 0.33
FPR2 P25090 2/20 0.33

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
SCHEMBL21283008 0.90 KDM4E (0.36) GHSRCYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18868656 0.84 KMT2A (0.43) GHSRFOLH1CYP3A4CYP2C9CYP2C19
SCHEMBL21283007 0.78 KMT2A (0.42) GHSRFOLH1CYP3A4CYP2C9CYP2C19
SCHEMBL20748226 0.75 PPARG (0.38) CYP3A4KDM4EALDH1A1LMNAKMT2A
SCHEMBL23398110 0.73 KDM4E (0.41) GHSRFOLH1CYP2C19KDM4EALDH1A1
SCHEMBL14429284 0.73 KMT2A (0.43) GHSRFOLH1CYP3A4CYP2C9CYP2C19
SCHEMBL19854872 0.72 LMNA (0.47) GHSRFOLH1KDM4EALDH1A1LMNA
SCHEMBL25778077 0.72 CA1 (0.40) CYP2C19KDM4EKMT2AHTTTACR1
SCHEMBL29890667 0.71 TSHR (0.48) KDM4EKMT2ATACR1
SCHEMBL13701516 0.71 SGPL1 (0.40) KMT2ATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723750-B2 Sphingamide compounds and methods for binding iNKT cells LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 2020-07-28 US disclosed
US-20190256541-A1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING iNKT CELLS LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 2019-08-22 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 (2 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-10723750-B2 Sphingamide compounds and methods for binding iNKT cells UGCG, CD4, CERT1 GHSR 954/4885FOLH1 1855/4885CYP3A4 4363/4885
US-20190256541-A1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING iNKT CELLS UGCG, CD4, CERT1 GHSR 954/4885FOLH1 1855/4885CYP3A4 4363/4885

“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.