SCHEMBL2533969

SCHEMBL2533969

Cc1nn(-c2cc(OC(F)F)n(C)n2)c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.40
PTGDR2 Q9Y5Y4 10/20 0.37
CNR1 P21554 6/20 0.37
SLC34A1 Q06495 2/20 0.35

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
SCHEMBL2010705 0.83 CNR2 (0.35) CNR1SLC34A1
SCHEMBL11252577 0.73 CYP1A2 (0.52)
SCHEMBL11242627 0.71 CYP1A2 (0.52) PTGDR2
SCHEMBL1359508 0.68 PTGDR2 (0.39) S1PR1PTGDR2CNR1
SCHEMBL7501165 0.68 MAPT (0.41)
SCHEMBL11255264 0.67 CYP1A2 (0.50) PTGDR2
SCHEMBL1430458 0.66 SMN1; SMN2 (0.49) PTGDR2
SCHEMBL8436203 0.65 SPR (0.40)
SCHEMBL11247967 0.65 CYP2C9 (0.56) PTGDR2
SCHEMBL11260109 0.64 FFAR4 (0.47) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-10-20 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-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators DDT, HPD, DDC S1PR1 3839/4885PTGDR2 3354/4885CNR1 2157/4885

“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.