SCHEMBL18735615

SCHEMBL18735615

CCC1OC(CO)C(O)C(O)C1NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ THRB P10828 1/20 0.58
▸ MAPK1 P28482 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PYGB P11216 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ CD69 Q07108 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ OGA O60502 1/20 0.43

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
SCHEMBL18573708 1.00 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL22431361 1.00 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL20842452 1.00 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL17771655 0.91 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL12936319 0.91 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL23735602 0.87 MAPK1 (0.56) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL14473245 0.87 ALDH1A1 (0.46) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL16393013 0.87 ALDH1A1 (0.55) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL23640116 0.85 CD69 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL23640154 0.85 CD69 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2CD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND ST. MARIANNA UNIVERSITY SCHOOL OF MEDICINE (JP) 2023-10-12 — — US disclosed
US-20190209604-A1 OLIGONUCLEOTIDES, COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2019-07-11 — — US disclosed
US-20190127733-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2019-05-02 — — US disclosed
US-9982257-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2018-05-29 — — US disclosed
US-9885037-B2 — — 2018-02-06 — — US disclosed
WO-2017062862-A2 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2017-04-13 — — 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-20190127733-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RBM17, HNRNPA2B1, HNRNPA1 ALDH1A1 3613/4885THRB 3541/4885MAPK1 4822/4885
US-20190209604-A1 OLIGONUCLEOTIDES, COMPOSITIONS AND METHODS THEREOF TLR9, RNGTT, NT5C3B ALDH1A1 4085/4885THRB 3143/4885MAPK1 4368/4885
US-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND RXFP1, AVPR2, RXFP3 ALDH1A1 2641/4885THRB 3616/4885MAPK1 370/4885

“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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