SCHEMBL7072036

SCHEMBL7072036

CO[C@@H]1O[C@H](C(=O)NN(Cc2ccccc2)C(N)=S)[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ AKT1 P31749 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL7072046 0.76 ALDH1A1 (0.51) KMT2AALDH1A1MEN1ALOX12NPSR1
SCHEMBL7072042 0.76 ALDH1A1 (0.51) KMT2AALDH1A1MEN1ALOX12NPSR1
SCHEMBL7214820 0.74 CPB1 (0.40) KMT2AALDH1A1MEN1CYP2C9LMNA
SCHEMBL7214815 0.74 CPB1 (0.40) KMT2AALDH1A1MEN1CYP2C9LMNA
SCHEMBL23880053 0.70 ALDH1A1 (0.37) ALDH1A1
SCHEMBL7213941 0.69 CA2 (0.43) KMT2AALDH1A1MEN1HTTNPSR1
SCHEMBL7037202 0.69 GSTP1 (0.39) KMT2AALDH1A1MEN1L3MBTL1CYP2C9
SCHEMBL7090127 0.68 GAA (0.39) —
SCHEMBL5408623 0.67 CA2 (0.39) KMT2AALDH1A1MEN1CYP2C9
SCHEMBL4370834 0.67 CA2 (0.39) KMT2AALDH1A1MEN1CYP2C9

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 4 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
EP-1317465-A1 PURINE DERIVATIVES PFIZER INC. (US) 2003-06-11 — — EP disclosed
US-20020072597-A1 Purine derivatives PFIZER INC. 2002-06-13 — — US disclosed
WO-2002022630-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-03-21 — — 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 (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 KMT2A 4442/4885ALDH1A1 226/4885MEN1 2518/4885

“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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