SCHEMBL24145194

SCHEMBL24145194

O=C([C@H]1OC[C@H](O)[C@@H](O)[C@H]1O)N1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.53
▸ GRM5 P41594 14/20 0.47
▸ NOTUM Q6P988 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL21149337 0.81 AKR1C3 (0.51) AKR1C3GRM5NOTUMALDH1A1GAA
SCHEMBL23777678 0.72 AKR1C3 (0.66) AKR1C3GRM5NOTUMALDH1A1NR1H4
SCHEMBL24137717 0.71 AKR1C3 (0.41) AKR1C3GRM5
SCHEMBL21148306 0.70 AKR1C3 (0.46) AKR1C3GRM5NOTUMNR1H4GAA
SCHEMBL21432539 0.70 AKR1C3 (1.00) AKR1C3ALDH1A1
SCHEMBL31758889 0.69 HPGD (0.44) ALDH1A1
SCHEMBL1904905 0.69 AKR1C3 (0.61) AKR1C3GRM5ALDH1A1
SCHEMBL1903214 0.69 GRM5 (0.64) AKR1C3GRM5
SCHEMBL12781995 0.68 TSHR (0.70) AKR1C3GRM5ALDH1A1GAA
SCHEMBL31759010 0.68 L3MBTL1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401946-A1 CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-12-30 — — 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 (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-20210401946-A1 CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 AKR1C3 1463/4885GRM5 1859/4885NOTUM 3634/4885

“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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