SCHEMBL12601673

SCHEMBL12601673

CSc1c(C(F)(F)F)ccc(C(=O)c2c(C3CC3)nn(C)c2O)c1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
LRRK2 Q5S007 1/20 0.32
XPO1 O14980 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
SCHEMBL12601675 0.89 HCRTR1 (0.33) HCRTR1HCRTR2XPO1
SCHEMBL1781054 0.85 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL12601685 0.84
SCHEMBL27516520 0.83 XPO1 (0.33) HCRTR1HCRTR2LRRK2XPO1
SCHEMBL12601682 0.82
SCHEMBL19893749 0.79 RORC (0.33) HCRTR1HCRTR2XPO1
SCHEMBL8341676 0.78 SLC6A9 (0.38)
SCHEMBL418823 0.77
SCHEMBL19075100 0.77
SCHEMBL12601671 0.76 CNR1 (0.31)

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
US-7943551-B2 3-cyclopropyl-4-(3-thiobenzoyl) pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-05-17 US disclosed
US-20080305956-A1 3-Cyclopropyl-4-(3-Thiobenzoyl) Pyrazoles And Their Use as Herbicides BAYER CROPSCIENCE AG (US) 2008-12-11 US 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 HCRTR1 413/4885HCRTR2 821/4885LRRK2 3916/4885

“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.