SCHEMBL21283008

SCHEMBL21283008

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PPARG P37231 2/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FPR2 P25090 2/20 0.34
PPARA Q07869 1/20 0.33
GHSR Q92847 1/20 0.33
ENPP2 Q13822 1/20 0.33
HDAC2 Q92769 2/20 0.32
LTA4H P09960 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
SCHEMBL21283009 0.90 GHSR (0.39) KDM4EALDH1A1LMNANFKB1NFKB2
SCHEMBL18868656 0.77 KMT2A (0.43) KDM4EALDH1A1LMNANFKB1NFKB2
SCHEMBL20748226 0.77 PPARG (0.38) KDM4EALDH1A1LMNAPPARGCYP3A4
SCHEMBL22002383 0.75 MAPT (0.41) KDM4EALDH1A1LMNACYP3A4CYP2C9
SCHEMBL22002372 0.75 MAPT (0.41) KDM4EALDH1A1LMNACYP3A4CYP2C9
SCHEMBL18868661 0.74 LMNA (0.43) KDM4EALDH1A1LMNANFKB1NFKB2
SCHEMBL17826457 0.74 MAPT (0.38) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL25778077 0.74 CA1 (0.40) KDM4ECYP2C19
SCHEMBL17752495 0.73 CETP (0.39)
SCHEMBL17752491 0.73 CETP (0.39)

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 KDM4E 1354/4885ALDH1A1 4566/4885LMNA 1224/4885
US-20190256541-A1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING iNKT CELLS UGCG, CD4, CERT1 KDM4E 1354/4885ALDH1A1 4566/4885LMNA 1224/4885

“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.