SCHEMBL18238693

SCHEMBL18238693

CC(C)c1n[nH]c(=O)c2c1S(=O)(=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 12/20 0.36
▸ PPARG P37231 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NR2E3 Q9Y5X4 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ PTK2B Q14289 2/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL18238936 0.88 PARP1 (0.34) PARP1ALDH1A1LMNAHPGDKMT2A
SCHEMBL19153762 0.80 PARP1 (0.33) PARP1
SCHEMBL18238024 0.80 HCAR2 (0.31) KMT2A
SCHEMBL18238038 0.76 GAA (0.35) GAAPTK2BSMN1; SMN2
SCHEMBL19902539 0.75 PARP1 (0.48) PARP1PPARGRXFP1NR2E3NCOR2
SCHEMBL19902540 0.75 PARP1 (0.51) PARP1PPARGRXFP1NR2E3NCOR2
SCHEMBL19153672 0.73 PARP1 (0.33) PARP1
SCHEMBL19131108 0.71 PARP1 (0.34) PARP1GAAPTK2BSMN1; SMN2
SCHEMBL18238800 0.71 PARP1 (0.34) PARP1
SCHEMBL18238531 0.70 PARP1 (0.32) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 — — WO 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PARP1 2195/4885PPARG 4845/4885RXFP1 3308/4885

“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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