SCHEMBL18948385

SCHEMBL18948385

CCc1cncc(NS(=O)(=O)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ PTGS1 P23219 3/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHRND Q07001 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALPL P05186 1/20 0.35
▸ PIK3CB P42338 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
SCHEMBL12314797 0.81 PIK3CB (0.51) PTGS1KMT2AL3MBTL1ALPLPIK3CB
SCHEMBL23563123 0.81 HPGD (0.46) PTGS1PARP1KMT2AL3MBTL1ALPL
SCHEMBL10174760 0.78 SLC22A12 (0.47) BRD4ADRB2ADRB1PTGS1CHRNA1
SCHEMBL19446156 0.77 HPGD (0.58) PTGS1PARP1KMT2AHPGD
SCHEMBL3119732 0.77 SLC22A12 (0.46) BRD4PTGS1CHRNA1CHRNGCHRNB1
SCHEMBL12649824 0.75 PARP1 (0.50) BRD4PTGS1PARP1CYP4F2CYP4A11
SCHEMBL12309808 0.74 HPGD (0.58) BRD4ADRB2ADRB1KMT2AL3MBTL1
SCHEMBL17828144 0.74 GPR55 (0.38) CHRNB2CHRNA4SMYD3
SCHEMBL17831361 0.71 ALDH1A1 (0.46) CHRNB2CHRNA4SMYD3
SCHEMBL19355763 0.69 PIK3CB (0.60) BRD4PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-22 — — US disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 — — EP disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 — — US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 — — 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 (2 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-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 BRD4 1204/4885ADRB2 3881/4885ADRB1 3515/4885
US-10183933-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase PIK3CD, PIK3CA, PIK3R5 BRD4 1204/4885ADRB2 3881/4885ADRB1 3515/4885

“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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