SCHEMBL4133369

SCHEMBL4133369

COC(=O)c1ccc(CCCC(C)(C)C(=O)OC)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
NOTUM Q6P988 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
XDH P47989 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TTR P02766 1/20 0.38
CYP4A11 Q02928 3/20 0.38
MAPT P10636 1/20 0.37
CYP4F2 P78329 2/20 0.37
ACLY P53396 1/20 0.37

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
SCHEMBL4129232 0.90 EPHX2 (0.49) EPHX2NR1H4ACLYKDM4ELMNA
SCHEMBL4128817 0.89 EPHX2 (0.38) DPP4EPHX2NR1H4
SCHEMBL19304427 0.81 L3MBTL1 (0.48) DPP4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20178618 0.80 ALDH1A1 (0.47) DPP4CYP3A4CYP4A11MAPTCYP4F2
SCHEMBL31753749 0.80 CYP4A11 (0.59) DPP4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24213970 0.80 NOTUM (0.46) DPP4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2654943 0.79 CYP4A11 (0.57) DPP4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3653076 0.78 DPP4 (0.51) DPP4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25933615 0.78 DPP4 (0.48) DPP4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27359234 0.78 NPC1 (0.56) DPP4CYP1A2CYP3A4CYP2C9CYP2C19

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-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 DPP4 4223/4885CYP1A2 802/4885CYP3A4 3022/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 DPP4 4223/4885CYP1A2 802/4885CYP3A4 3022/4885

“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.