SCHEMBL21283006

SCHEMBL21283006

COC(=O)/C=C/C[C@@H](O)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.43
RCE1 Q9Y256 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TACR1 P25103 2/20 0.36
SLC1A1 P43005 1/20 0.36
NPC1 O15118 1/20 0.36
FOLH1 Q04609 1/20 0.36

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
SCHEMBL18868657 0.91 MAPT (0.45) MAPTHTTKMT2ARCE1CA1
SCHEMBL14429286 0.84 KMT2A (0.43) MAPTHTTKMT2ARCE1CA1
SCHEMBL1578411 0.80 CA1 (0.45) HTTKMT2ACA1CA2CA7
SCHEMBL1578413 0.80 CA1 (0.45) HTTKMT2ACA1CA2CA7
SCHEMBL11454462 0.76 CA1 (0.56) MAPTHTTKMT2ACA1CA2
SCHEMBL28523703 0.76 HTT (0.48) MAPTHTTKMT2ACA1CA2
SCHEMBL18868656 0.75 KMT2A (0.43) HTTKMT2ACA1CA2CA7
SCHEMBL15944533 0.75 MAPT (0.47) MAPTHTTKMT2ARCE1SLC1A1
SCHEMBL24667576 0.75 CYP2C19 (0.42) MAPTHTTKMT2ARCE1CYP3A4
SCHEMBL15944534 0.74 MAPT (0.46) MAPTHTTKMT2ASLC1A1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3374028-B1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING INKT CELLS LA JOLLA INST ALLERGY & IMMUNOLOGY (US) 2021-05-26 EP disclosed
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 MAPT 2959/4885HTT 4505/4885KMT2A 603/4885
US-20190256541-A1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING iNKT CELLS UGCG, CD4, CERT1 MAPT 2959/4885HTT 4505/4885KMT2A 603/4885

“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.