SCHEMBL1229960

SCHEMBL1229960

Cc1c(CO)cc(Br)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
ADRB2 P07550 4/20 0.31
KIF11 P52732 1/20 0.31
PIK3C2B O00750 1/20 0.31
KDM1A O60341 2/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 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
SCHEMBL11942317 0.83 NOTUM (0.38) NOTUMKDM1A
SCHEMBL15218262 0.80 PTGDR2 (0.36)
SCHEMBL24012991 0.75 HDAC1 (0.34)
SCHEMBL30626575 0.75 KDM1A (0.43) KIF11KDM1APTPN7DUSP3
SCHEMBL20196946 0.75 KDM1A (0.43) KIF11KDM1APTPN7DUSP3
SCHEMBL26019034 0.74 NOTUM (0.33) NOTUMADRB2KIF11KDM1A
SCHEMBL21141922 0.74 KIF11 (0.35) NOTUMADRB2KIF11KDM1APTPN7
SCHEMBL12535526 0.74 CYP3A4 (0.39)
SCHEMBL13550103 0.74 AR (0.35) NOTUMKDM1A
SCHEMBL31698223 0.74 ADRB2 (0.38) NOTUMADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 NOTUM 1026/4885ADRB2 57/4885KIF11 4029/4885

“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.