SCHEMBL22808138

SCHEMBL22808138

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.42
▸ CYP3A4 P08684 11/20 0.39
▸ TSHR P16473 8/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CYP2C9 P11712 6/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ BTN3A1 O00481 1/20 0.38

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
SCHEMBL22808139 0.84 ATM (0.46) ATMCYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL20830130 0.78 PPARA (0.37) ATMCYP3A4CTSLCTSBCTSS
SCHEMBL8857090 0.77 ATM (0.55) ATMSYKCTSLCTSBCTSS
SCHEMBL8857340 0.77 ATM (0.55) ATMSYKCTSLCTSBCTSS
SCHEMBL8857439 0.77 ATM (0.55) ATMSYKCTSLCTSBCTSS
SCHEMBL26451040 0.76 SYK (0.50) ATMCASP1SYKCTSLCTSB
SCHEMBL1199787 0.76 ITGB3 (0.53) ATMALDH1A1SYKCTSLCTSB
SCHEMBL1199790 0.76 ITGB3 (0.53) ATMALDH1A1SYKCTSLCTSB
SCHEMBL7513292 0.76 ITGB3 (0.53) ATMALDH1A1SYKCTSLCTSB
SCHEMBL1199066 0.75 KYNU (0.54) ATMALDH1A1SYKCTSLCTSB

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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