SCHEMBL6236508

SCHEMBL6236508

COC(=O)C1C(C)OC(C(C)(C)O[SiH2]C(C)(C)C)CN1Sc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.37
MMP1 P03956 3/20 0.37
S1PR5 Q9H228 1/20 0.36
MAOB P27338 3/20 0.36
KDM1A O60341 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MMP13 P45452 1/20 0.34
POLB P06746 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
NR4A2 P43354 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FFAR1 O14842 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL6243813 0.86 ADAM17 (0.40) ADAM17MMP1S1PR5MAOBKDM1A
SCHEMBL6234707 0.84 S1PR5 (0.43) ADAM17MMP1S1PR5MAOBKDM1A
SCHEMBL6242329 0.82 S1PR5 (0.41) ADAM17MMP1S1PR5MAOBKDM1A
SCHEMBL6383056 0.81 S1PR5 (0.40) ADAM17MMP1S1PR5MAOBKDM1A
SCHEMBL6239560 0.81 S1PR5 (0.40) ADAM17MMP1S1PR5MAOBKDM1A
SCHEMBL6238755 0.81 S1PR5 (0.40) ADAM17MMP1S1PR5MAOBKDM1A
SCHEMBL6236505 0.79 MMP1 (0.37) ADAM17MMP1S1PR5MAOBKDM1A
SCHEMBL6239521 0.71 MMP1 (0.52) ADAM17MMP1MMP13
SCHEMBL6238820 0.68 S1PR1 (0.45) ADAM17MMP1S1PR5MAOBMMP13
SCHEMBL6243809 0.67 ADAM17 (0.40) ADAM17MMP1S1PR5MAOBKDM1A

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 ADAM17 22/4885MMP1 18/4885S1PR5 2007/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 ADAM17 19/4885MMP1 15/4885S1PR5 2738/4885

“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.