SCHEMBL6234620

SCHEMBL6234620

COC(=O)C1C(C)OC(CI)CN1Sc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
MAOB P27338 5/20 0.42
MAOA P21397 4/20 0.42
GID4 Q8IVV7 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM1A O60341 1/20 0.40
ALOX5 P09917 1/20 0.40
NR4A2 P43354 1/20 0.38
MMP1 P03956 1/20 0.38
ADAM17 P78536 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
SCHEMBL6241067 1.00 S1PR1 (0.44) S1PR1S1PR5MAOBMAOAGID4
SCHEMBL6241350 0.88 S1PR1 (0.45) S1PR1S1PR5MAOBMAOAGID4
SCHEMBL7128854 0.88 ALOX5 (0.41) S1PR1S1PR5MAOBMAOAGID4
SCHEMBL7128850 0.88 ALOX5 (0.41) S1PR1S1PR5MAOBMAOAGID4
SCHEMBL6239782 0.88 ALOX5 (0.41) S1PR1S1PR5MAOBMAOAGID4
SCHEMBL6238755 0.84 S1PR5 (0.40) S1PR5MAOBKDM1ANR4A2MMP1
SCHEMBL6242329 0.77 S1PR5 (0.41) S1PR5MAOBKDM1ANR4A2MMP1
SCHEMBL6239560 0.76 S1PR5 (0.40) S1PR5MAOBKDM1ANR4A2MMP1
SCHEMBL6383056 0.76 S1PR5 (0.40) S1PR5MAOBKDM1ANR4A2MMP1
SCHEMBL6238820 0.73 S1PR1 (0.45) S1PR1S1PR5MAOBMMP1ADAM17

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 2007/4885MAOB 4221/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 S1PR1 2486/4885S1PR5 2738/4885MAOB 3725/4885

“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.