SCHEMBL6239560

SCHEMBL6239560

COC[C@H]1CN(Sc2ccc(OCc3ccc(F)cc3)cc2)[C@@H](C(=O)OC)[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.40
MMP1 P03956 3/20 0.40
ADAM17 P78536 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 3/20 0.39
NR4A2 P43354 1/20 0.37
MMP13 P45452 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PPARD Q03181 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FFAR1 O14842 1/20 0.36
GAA P10253 1/20 0.36
KDM1A O60341 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6383056 1.00 S1PR5 (0.40) S1PR5MMP1ADAM17NPC1RAB9A
SCHEMBL6242329 0.93 S1PR5 (0.41) S1PR5MMP1ADAM17NPC1RAB9A
SCHEMBL6238755 0.91 S1PR5 (0.40) S1PR5MMP1ADAM17NPC1RAB9A
SCHEMBL6236505 0.89 MMP1 (0.37) S1PR5MMP1ADAM17NPC1RAB9A
SCHEMBL6234707 0.89 S1PR5 (0.43) S1PR5MMP1ADAM17NPC1RAB9A
SCHEMBL6239521 0.88 MMP1 (0.52) MMP1ADAM17MMP13
SCHEMBL6236508 0.81 ADAM17 (0.37) S1PR5MMP1ADAM17NPC1RAB9A
SCHEMBL6234620 0.76 S1PR1 (0.44) S1PR5MMP1ADAM17MAOBNR4A2
SCHEMBL6241067 0.76 S1PR1 (0.44) S1PR5MMP1ADAM17MAOBNR4A2
SCHEMBL6243809 0.76 ADAM17 (0.40) S1PR5MMP1ADAM17NPC1RAB9A

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 5 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
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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 S1PR5 2007/4885MMP1 18/4885ADAM17 22/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 S1PR5 2738/4885MMP1 15/4885ADAM17 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.