SCHEMBL1779844

SCHEMBL1779844

Cc1c(C(=O)c2c(C3CC3)nn(C)c2O)ccc(Cl)c1CC1CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.33
PROKR1 Q8TCW9 4/20 0.31
FPR2 P25090 3/20 0.31
CRHR2 Q13324 1/20 0.30
RORC P51449 2/20 0.30
SLC22A12 Q96S37 1/20 0.30
PKM P14618 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
SCHEMBL1779277 0.84 CRHR1 (0.30) CRHR1
SCHEMBL8341103 0.82 MGLL (0.32) PROKR1
SCHEMBL1780832 0.82 CXCR2 (0.33) PROKR1FPR2
SCHEMBL22945927 0.82 RORC (0.32) RORCSLC22A12
SCHEMBL12601685 0.81
SCHEMBL12601671 0.80 CNR1 (0.31)
SCHEMBL12601687 0.79 MPO (0.31)
SCHEMBL23061248 0.77 RORC (0.31) RORC
SCHEMBL12601689 0.77 CXCR2 (0.31)
SCHEMBL12601670 0.77 PDE4B (0.31) RORC

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
EP-2167473-B1 3-CYCLOPROPYL-4-(3-THIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BAYER IP GMBH (DE) 2017-07-05 EP disclosed
US-7943551-B2 3-cyclopropyl-4-(3-thiobenzoyl) pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-05-17 US disclosed
EP-2167473-A2 3-CYCLOPROPYL-4-(3-THIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES Bayer CropScience AG (DE) 2010-03-31 EP disclosed
WO-2008151719-A2 3-CYCLOPROPYL-4-(3-THIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 WO disclosed
US-20080305956-A1 3-Cyclopropyl-4-(3-Thiobenzoyl) Pyrazoles And Their Use as Herbicides BAYER CROPSCIENCE AG (US) 2008-12-11 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-20080305956-A1 3-Cyclopropyl-4-(3-Thiobenzoyl) Pyrazoles And Their Use as Herbicides TH, GLRX3, DDT CRHR1 2239/4885PROKR1 3851/4885FPR2 2712/4885

“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.