SCHEMBL5315752

SCHEMBL5315752

CC1CC(C(=O)O)c2ccccc2N1C(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PTGDR2 Q9Y5Y4 11/20 0.55

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
SCHEMBL6071132 1.00 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL6070865 1.00 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL6070868 1.00 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL6071134 1.00 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL5376563 1.00 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL5372886 0.89 PTGDR2 (0.56) MEN1KMT2APTGDR2
SCHEMBL6070504 0.89 PTGDR2 (0.56) MEN1KMT2APTGDR2
SCHEMBL5318422 0.89 PTGDR2 (0.56) MEN1KMT2APTGDR2
SCHEMBL6070506 0.89 PTGDR2 (0.56) MEN1KMT2APTGDR2
SCHEMBL6070870 0.87 PTGDR2 (0.56) MEN1KMT2APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861372-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-05 EP disclosed
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
WO-2006091674-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-31 WO disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 MEN1 2747/4885KMT2A 3899/4885PTGDR2 3375/4885
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGER2, PTGDR2, PTGER1 MEN1 4590/4885KMT2A 4505/4885PTGDR2 2/4885

“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.