SCHEMBL22223321

SCHEMBL22223321

O=C(O)CCCCCCCCCCCCCCCCC(=O)NC(CNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.61
▸ PTGS2 P35354 7/20 0.61
▸ MGLL Q99685 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ FAAH O00519 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41

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
SCHEMBL22044572 0.91 PTGS1 (0.45) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL22223319 0.91 PTGS1 (0.48) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL22311921 0.86 PTGS1 (0.61) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL24589079 0.86 PTGS1 (0.43) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL24864492 0.85 PTGS1 (0.49) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL27292160 0.85 PTGS1 (0.49) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL24588972 0.85 PTGS1 (0.42) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL16453429 0.85 PTGS1 (0.59) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL22223482 0.84 PTGS1 (0.44) PTGS1PTGS2MGLLSMN1; SMN2FAAH
SCHEMBL22223432 0.84 PTGS1 (0.41) PTGS1PTGS2MGLLSMN1; SMN2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-06-30 — — US disclosed
US-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-04-01 — — US disclosed
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-03-11 — — US disclosed
WO-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 — — 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-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 PTGS1 4737/4885PTGS2 4759/4885MGLL 4743/4885
US-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use EPAS1, HIF1AN, HIF1A PTGS1 1489/4885PTGS2 607/4885MGLL 4825/4885
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 PTGS1 4737/4885PTGS2 4759/4885MGLL 4743/4885

“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.

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