SCHEMBL18531202

SCHEMBL18531202

CCCCCCC(C)C1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL24852468 0.90 TP53 (0.40) TDP1POLBTP53DPP4DPP8
SCHEMBL20963101 0.80 POLB (0.36) TDP1POLBTP53DPP4DPP8
SCHEMBL21255651 0.79 TP53 (0.46) TP53DPP4DPP8DPP9DPP7
SCHEMBL28273615 0.78 OPRM1 (0.42) TSHR
SCHEMBL22268712 0.78 OPRM1 (0.42) TSHR
SCHEMBL22130612 0.78 GNAI3 (0.49) —
SCHEMBL19062194 0.77 TSHR (0.38) TP53DPP4DPP8DPP9DPP7
SCHEMBL16992937 0.76 OPRM1 (0.44) TP53
SCHEMBL19321767 0.75 GNAI3 (0.46) —
SCHEMBL26382437 0.75 ADH1C (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
US-9574085-B2 Biocompatible N, N-disubstituted sulfonamide-containing fluorescent dye labels VISEN MEDICAL, INC. (US) 2017-02-21 — — 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-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 TDP1 304/4885POLB 3180/4885TP53 2910/4885

“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.

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