SCHEMBL7214815

SCHEMBL7214815

CO[C@@H]1O[C@H](C(=O)NNC(=O)OCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.40
▸ LGALS8 O00214 1/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ TSHR P16473 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL7214820 1.00 CPB1 (0.40) CPB1LGALS8CYP3A4TSHRALDH1A1
SCHEMBL7072042 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CA1NPC1CA9
SCHEMBL7072046 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CA1NPC1CA9
SCHEMBL17921713 0.76 SYK (0.45) LGALS8CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL6359630 0.76 CTSL (0.41) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL16156790 0.76 SYK (0.45) LGALS8CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL7072036 0.74 KMT2A (0.33) ALDH1A1CYP2C9MEN1LMNAKMT2A
SCHEMBL7038325 0.74 GSTP1 (0.40) CYP3A4TSHRALDH1A1MAPK1
SCHEMBL16156798 0.74 CTRB1 (0.40) LGALS8CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL14905978 0.74 CTRB1 (0.40) LGALS8CYP3A4TSHRALDH1A1SMN1; SMN2

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-6624158-B2 Compound for use in the treatment of; sepsis, urogential, psychological, nervous system, respiratory, inflammatory, skin vascular and arthritic; wound healing agents PFIZER INC 2003-09-23 — — US disclosed
US-20020072597-A1 Purine derivatives PFIZER INC. 2002-06-13 — — 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-20020072597-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 CPB1 2413/4885LGALS8 2292/4885CYP3A4 244/4885

“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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