SCHEMBL6238820

SCHEMBL6238820

COC(=O)[C@H]1[C@H](C)O[C@@H](C)CN1Sc1ccc(OCc2ccccc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
ADAM17 P78536 13/20 0.43
MAOB P27338 1/20 0.43
MMP1 P03956 11/20 0.42
MMP13 P45452 8/20 0.42
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL7136204 0.83 ADAM17 (0.40) S1PR1S1PR5ADAM17MAOBMMP1
SCHEMBL7136202 0.83 ADAM17 (0.40) S1PR1S1PR5ADAM17MAOBMMP1
SCHEMBL6241097 0.83 ADAM17 (0.40) S1PR1S1PR5ADAM17MAOBMMP1
SCHEMBL6234707 0.83 S1PR5 (0.43) S1PR5ADAM17MAOBMMP1MMP13
SCHEMBL7132878 0.81 ALDH1A1 (0.36) KDM4E
SCHEMBL6242329 0.76 S1PR5 (0.41) S1PR5ADAM17MAOBMMP1MMP13
SCHEMBL6238755 0.74 S1PR5 (0.40) S1PR5ADAM17MAOBMMP1MMP13
SCHEMBL6239560 0.74 S1PR5 (0.40) S1PR5ADAM17MAOBMMP1MMP13
SCHEMBL6383056 0.74 S1PR5 (0.40) S1PR5ADAM17MAOBMMP1MMP13
SCHEMBL6241350 0.73 S1PR1 (0.45) S1PR1S1PR5ADAM17MAOBMMP1

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-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 S1PR1 2147/4885S1PR5 2007/4885ADAM17 22/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 S1PR1 2486/4885S1PR5 2738/4885ADAM17 19/4885

“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.