SCHEMBL6856223

SCHEMBL6856223

OC[C@H]1CC[C@H](n2cnc3c(NC4CCC(O)CC4)ncnc32)O1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.62
▸ RIN1 Q13671 2/20 0.62
▸ PMP22 Q01453 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ SLC29A1 Q99808 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ KMT2A Q03164 1/20 0.57

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
SCHEMBL23982425 0.96 ABL1 (0.66) ABL1RIN1PMP22
SCHEMBL13312947 0.91 TSHR (0.64) PMP22ADORA3GAAADORA2AADORA2B
SCHEMBL22452225 0.91 TSHR (0.64) PMP22ADORA3GAAADORA2AADORA2B
SCHEMBL12157290 0.90 ADORA2A (0.65) PMP22ADORA3GAAADORA2AADORA2B
SCHEMBL5391740 0.83 TSHR (0.60) PMP22ADORA3GAAADORA2AADORA2B
SCHEMBL14593728 0.83 TSHR (0.60) PMP22ADORA3GAAADORA2AADORA2B
SCHEMBL2041441 0.83 YTHDC1 (0.59) ABL1RIN1ADORA3
SCHEMBL29318369 0.83 YTHDC1 (0.59) ABL1RIN1ADORA3
SCHEMBL20419240 0.83 ALDH1A1 (0.57) ABL1RIN1
SCHEMBL2036287 0.81 ALDH1A1 (0.55) ABL1RIN1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476455-A1 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-11-17 — — EP disclosed
US-6809216-B2 WATERPROOFING, OIL REPELLENTS, ANTISOILANTS HONEYWELL INTERNATIONAL INC. 2004-10-26 — — US disclosed
US-6800788-B2 FLUORINE-CONTAINING COMPOUNDS, AND POLYMERS DERIVED THEREFROM, FOR USE IN COMPOSITIONS USED FOR TREATING TEXTILE SUBSTRATES. ALSO PROVIDED ARE METHODS OF MAKING FLUORINE-CONTAINING COMPOUNDS AND POLYMERS DERIVED THEREFROM, COMPOSITIONS HONEYWELL INTERNATIONAL INC. 2004-10-05 — — US disclosed
WO-2003070739-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-08-28 — — WO disclosed
US-20030109626-A1 Fluorine-containing compounds and polymers derived therefrom HONEYWELL INTERNATIONAL INC. 2003-06-12 — — US disclosed
US-20030092828-A1 Fluorine-containing compounds and polymers derived therefrom BRADLEY DAVID E (US) 2003-05-15 — — US disclosed
US-20030039919-A1 Fluorine-containing compounds and polymers derived therefrom HONEYWELL INTERNATIONAL INC. 2003-02-27 — — 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 (2 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-20030109626-A1 Fluorine-containing compounds and polymers derived therefrom WASF2, NOTUM, NEFM ABL1 231/4885RIN1 2659/4885PMP22 1544/4885
US-20030092828-A1 Fluorine-containing compounds and polymers derived therefrom WASF2, NOTUM, PFAS ABL1 140/4885RIN1 2389/4885PMP22 1813/4885

“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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