SCHEMBL21724618

SCHEMBL21724618

CCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(COC)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 8/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.44
▸ GRIA1 P42261 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL21724635 1.00 SPHK1 (0.45) SPHK1PTPN1ENPP2DGAT2GRIA1
SCHEMBL21724637 1.00 SPHK1 (0.45) SPHK1PTPN1ENPP2DGAT2GRIA1
SCHEMBL21724621 1.00 SPHK1 (0.45) SPHK1PTPN1ENPP2DGAT2GRIA1
SCHEMBL21724647 0.84 SPHK1 (0.46) SPHK1PTPN1ENPP2DGAT2HDAC2
SCHEMBL21724513 0.84 SPHK1 (0.46) SPHK1PTPN1ENPP2DGAT2HDAC2
SCHEMBL21724641 0.82 SMN1; SMN2 (0.44) —
SCHEMBL21724639 0.82 SMN1; SMN2 (0.44) —
SCHEMBL21732821 0.81 HDAC1 (0.41) SPHK1PTPN1HDAC2
SCHEMBL21732744 0.81 HDAC1 (0.41) SPHK1PTPN1HDAC2
SCHEMBL25680269 0.78 GAA (0.44) SPHK1ENPP2DGAT2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398966-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-12-05 — — US disclosed
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 — — US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 — — EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 — — US disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 — — US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 — — WO disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 — — WO 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 (3 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-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 SPHK1 4130/4885PTPN1 2700/4885ENPP2 242/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 SPHK1 4130/4885PTPN1 2700/4885ENPP2 242/4885
US-20240398966-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 SPHK1 4130/4885PTPN1 2700/4885ENPP2 242/4885

“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.

Send feedback