SCHEMBL4017318

SCHEMBL4017318

CC(C)CCN(Cc1cc(F)c(Oc2ccc(C(N)=O)c(O)c2)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
TSHR P16473 2/20 0.33
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
F7 P08709 2/20 0.32
SSTR4 P31391 1/20 0.32
PARP10 Q53GL7 3/20 0.32
PARP15 Q460N3 2/20 0.32
PARP14 Q460N5 1/20 0.32
BACE1 P56817 4/20 0.31
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL4364207 0.90 LPAR1 (0.43) LPAR1LPAR5TSHRF2F10
SCHEMBL13632839 0.86 LPAR1 (0.36) LPAR1LPAR5TSHRF2F10
SCHEMBL4366116 0.77 LPAR1 (0.36) LPAR1LPAR5SSTR4MAOB
SCHEMBL4021777 0.77 LPAR1 (0.44) LPAR1LPAR5PARP10PARP15
SCHEMBL13633128 0.76 LPAR1 (0.42) LPAR1LPAR5TSHRF2F10
SCHEMBL4014221 0.75 MEN1 (0.36) PARP10PARP15PARP14MEN1KMT2A
SCHEMBL4081699 0.72 SSTR4 (0.45) LPAR1LPAR5F2F10F7
SCHEMBL11947088 0.72 LPAR1 (0.44) LPAR1LPAR5SSTR4
SCHEMBL4493480 0.70 F2 (0.39) LPAR1LPAR5F2F10F7
SCHEMBL3701082 0.70 LPAR1 (0.47) LPAR1LPAR5PARP10PARP15PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 EP disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 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 (1 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-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 LPAR1 644/4885LPAR5 1129/4885TSHR 585/4885

“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.