SCHEMBL17005437

SCHEMBL17005437

CON(C)C(=O)c1cc(/C=C/CNC(=O)O)nc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.35
GPBAR1 Q8TDU6 14/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL17005440 1.00 MLYCD (0.35) MLYCDGPBAR1ALDH1A1EPHX2RXRA
SCHEMBL17013184 0.91 MLYCD (0.35) MLYCDGPBAR1ALDH1A1EPHX2HDAC4
SCHEMBL17005426 0.84 MAPT (0.34) ALDH1A1RXRARXRB
SCHEMBL17005424 0.84 MAPT (0.34) ALDH1A1RXRARXRB
SCHEMBL17005394 0.72 MLYCD (0.43) MLYCDGPBAR1RXRARXRBHDAC4
SCHEMBL15418036 0.69 ALDH1A1 (0.44) ALDH1A1
SCHEMBL15418035 0.69 ALDH1A1 (0.44) ALDH1A1
SCHEMBL3652937 0.67 MLYCD (0.55) MLYCDGPBAR1
SCHEMBL30016477 0.66 MLYCD (0.48) MLYCDGPBAR1ALDH1A1HDAC4
SCHEMBL15648032 0.66 MLYCD (0.48) MLYCDGPBAR1ALDH1A1HDAC4

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
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 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 (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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE MLYCD 4230/4885GPBAR1 848/4885ALDH1A1 2192/4885

“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.