SCHEMBL24401280

SCHEMBL24401280

CCCC(C)S(=O)(=O)NCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRIA1 P42261 3/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
PRMT3 O60678 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
ANPEP P15144 1/20 0.32
DNM1 Q05193 1/20 0.32
CA1 P00915 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
SCHEMBL24303704 0.85 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1GRIA1CYP2C9
SCHEMBL3161747 0.78 GRIA1 (0.58) ALDH1A1TSHRNPSR1GRIA1CYP2C9
SCHEMBL28219948 0.74 GRIA1 (0.35) GRIA1CA1
SCHEMBL24303319 0.73 GRIA1 (0.42) TSHRGRIA1CYP2C19CA1
SCHEMBL9612083 0.69 TP53 (0.35) GRIA1CA1
SCHEMBL3151454 0.69 ALDH1A1 (0.60) ALDH1A1TSHRNPSR1CYP2C9CYP2C19
SCHEMBL3156232 0.68 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1CYP2C9CYP2C19
SCHEMBL20053716 0.68 ALDH1A1 (0.44) ALDH1A1TSHRNPSR1GRIA1CYP2C9
SCHEMBL12425770 0.67 CA1 (0.50) GRIA1CA1
SCHEMBL12448143 0.67 GRIA1 (0.65) ALDH1A1TSHRGRIA1GAADNM1

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-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 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-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC ALDH1A1 3918/4885TSHR 542/4885NPSR1 864/4885

“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.