SCHEMBL7224977

SCHEMBL7224977

CCOC(=O)C(N)Cc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.48
TPH1 P17752 4/20 0.46
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GRM6 O15303 1/20 0.43
PRKCZ Q05513 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX12 P18054 1/20 0.42
CCR6 P51684 1/20 0.42

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
Hydrochloric Acid SCHEMBL7224972 0.98 DPP4 (0.48) DPP4EPHX2PPARGTPH1MAPT
SCHEMBL1064642 0.95 PPARG (0.51) DPP4EPHX2PPARGTPH1MAPT
SCHEMBL838697 0.95 PPARG (0.51) DPP4EPHX2PPARGTPH1MAPT
SCHEMBL839736 0.95 PPARG (0.51) DPP4EPHX2PPARGTPH1MAPT
Hydrochloric Acid SCHEMBL2108091 0.94 PPARG (0.50) DPP4EPHX2PPARGTPH1MAPT
Hydrochloric Acid SCHEMBL1064640 0.94 PPARG (0.50) DPP4EPHX2PPARGTPH1MAPT
SCHEMBL7960935 0.87 SLC7A5 (0.48) EPHX2PPARGTPH1ALDH1A1PKM
SCHEMBL540023 0.86 DPP4 (0.50) DPP4TPH1ALDH1A1MEN1KMT2A
SCHEMBL540371 0.86 DPP4 (0.50) DPP4TPH1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL540024 0.85 DPP4 (0.49) DPP4TPH1ALDH1A1MEN1KMT2A

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-6613782-B2 For treating and/or preventing endothelin dependent conditions, e.g. cardio- and cerebro-vascular disorders such as hypertension, vasoconstriction, congestive heart failure, cerebral disorders, respiratory system disorders NOVARTIS AG (CH) 2003-09-02 US disclosed
US-6423727-B1 Certain thiol inhibitors of endothelin-converting enzyme NOVARTIS AG (CH) 2002-07-23 US disclosed
US-20020082218-A1 Certain thiol inhibitors of endothelin-converting enzyme LOMBAERT STEPHANE DE (US) 2002-06-27 US disclosed
EP-1073674-A1 THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-02-07 EP disclosed
WO-1999055726-A1 CERTAIN THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 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-20020082218-A1 Certain thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB DPP4 610/4885EPHX2 429/4885PPARG 4356/4885

“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.