SCHEMBL22808139

SCHEMBL22808139

C[C@H]1OC(C)(C)O[C@H]1[C@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ CYP3A4 P08684 13/20 0.44
▸ TSHR P16473 8/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CYP2C9 P11712 9/20 0.44
▸ CYP2C19 P33261 8/20 0.44
▸ CYP1A2 P05177 7/20 0.44
▸ CYP2D6 P10635 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CTRB1 P17538 2/20 0.43
▸ ALOX15 P16050 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
SCHEMBL22808138 0.84 ATM (0.42) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL27756335 0.79 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL28580670 0.79 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL4658795 0.79 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL27756338 0.79 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL13691987 0.79 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL12540247 0.79 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL27756333 0.79 CYP3A4 (0.46) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL3361383 0.75 CTSL (0.52) ATMCYP3A4TSHRALDH1A1MEN1
SCHEMBL20830135 0.74 CA1 (0.36) CYP2D6KMT2A

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-10870671-B2 Method of preparation of alpha galactosyl ceramides compounds ABIVAX (FR) 2020-12-22 — — 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-10870671-B2 Method of preparation of alpha galactosyl ceramides compounds UGCG, GBA1, MAN2B1 ATM 4668/4885CYP3A4 2855/4885TSHR 2567/4885

“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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