SCHEMBL22223432

SCHEMBL22223432

O=C(CCCCCN1C(=O)C=CC1=O)NCC(NC(=O)CCCCCCCCCCCCCCCC(F)P(=O)(O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.37
▸ FOLH1 Q04609 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL24588972 0.89 PTGS1 (0.42) PTGS1PTGS2FOLH1SMN1; SMN2ALDH1A1
SCHEMBL22223319 0.86 PTGS1 (0.48) PTGS1PTGS2FOLH1SMN1; SMN2ALDH1A1
SCHEMBL24589085 0.85 LPAR2 (0.39) PTGS1PTGS2LPAR2SMN1; SMN2ALDH1A1
SCHEMBL22223321 0.84 PTGS1 (0.61) PTGS1PTGS2FOLH1SMN1; SMN2ALDH1A1
SCHEMBL22044572 0.82 PTGS1 (0.45) PTGS1PTGS2FOLH1SMN1; SMN2ALDH1A1
SCHEMBL22223438 0.82 FOLH1 (0.40) LPAR2FOLH1SMN1; SMN2ALDH1A1HPGD
SCHEMBL22223388 0.82 LPAR2 (0.48) PTGS1PTGS2LPAR2SMN1; SMN2ALDH1A1
SCHEMBL24589088 0.81 FOLH1 (0.39) LPAR2FOLH1SMN1; SMN2ALDH1A1HPGD
SCHEMBL24589068 0.81 FOLH1 (0.39) LPAR2FOLH1SMN1; SMN2ALDH1A1HPGD
SCHEMBL12946729 0.79 NOD1 (0.49) PTGS1PTGS2NOD1

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-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
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 (1 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-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use EPAS1, HIF1AN, HIF1A PTGS1 1489/4885PTGS2 607/4885LPAR2 670/4885

“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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