SCHEMBL12628651

SCHEMBL12628651

CC1OC(c2coc(-c3ccnnc3)n2)O1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.39
▸ USP7 Q93009 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
SCHEMBL12628558 0.83 TP53 (0.36) S1PR1USP7
SCHEMBL21408769 0.73 S1PR1 (0.41) S1PR1
SCHEMBL12628495 0.72 TDP1 (0.37) —
SCHEMBL16229082 0.69 S1PR1 (0.37) S1PR1
SCHEMBL12628494 0.65 — —
SCHEMBL3546224 0.64 HDAC1 (0.46) S1PR1
SCHEMBL20743619 0.60 LOXL2 (0.43) S1PR1
SCHEMBL21408738 0.59 NOTUM (0.55) —
SCHEMBL12571342 0.59 HPGDS (0.50) S1PR1
SCHEMBL21408734 0.59 S1PR1 (0.41) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT S1PR1 2368/4885USP7 469/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 S1PR1 633/4885USP7 953/4885

“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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