SCHEMBL21078459

SCHEMBL21078459

C=C/C(=C\C=C/C)NS(=O)(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.41
▸ POLB P06746 2/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ DHFR P00374 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ FLT1 P17948 2/20 0.37
▸ FLT4 P35916 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ KAT6A Q92794 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 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
SCHEMBL24311588 0.84 CA1 (0.39) CA2POLBCA1CA9CA12
SCHEMBL22203322 0.83 CA2 (0.41) CA2POLBCA1CA9CA12
SCHEMBL23913202 0.82 CA2 (0.39) CA2POLBCA1CA9CA12
SCHEMBL15172248 0.81 LIMK1 (0.46) CA2CA1CA9CA12SMN1; SMN2
SCHEMBL18386943 0.80 CA2 (0.46) CA2POLBCA1CA9CA12
SCHEMBL22580331 0.80 LMNA (0.42) CA2POLBCA1CA9CA12
SCHEMBL18456642 0.80 CA2 (0.42) CA2POLBCA1CA9CA12
SCHEMBL20634752 0.77 CA2 (0.41) CA2POLBCA1CA9CA12
SCHEMBL21504945 0.77 CA2 (0.42) CA2POLBCA1CA9CA12
SCHEMBL20760068 0.75 CA2 (0.39) CA2POLBCA1CA9CA12

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-20190166840-A1 SUBSTITUTED PYRAZOLINYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 — — 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-20190166840-A1 SUBSTITUTED PYRAZOLINYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS HPD, GMDS, WEE1 CA2 1517/4885POLB 3799/4885CA1 3089/4885

“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.

Send feedback