SCHEMBL8430100

SCHEMBL8430100

CCC1CCN(C(=O)CN(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
GNAI3 P08754 3/20 0.40
GNAO1 P09471 3/20 0.40
GNAI1 P63096 3/20 0.40
KDM4E B2RXH2 1/20 0.39
JAK1 P23458 1/20 0.38
EPHX2 P34913 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36

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
SCHEMBL25477547 0.89 DPP8 (0.42) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL24456619 0.89 DPP8 (0.42) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL14174887 0.85 GNAI3 (0.48) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL14174873 0.85 ALDH1A1 (0.38) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL4578083 0.85 ITGB3 (0.43) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL4578079 0.85 ITGB3 (0.43) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL22332311 0.84 GNAI3 (0.38) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL15808629 0.83 KDM1A (0.45) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL24627371 0.82 ITGB3 (0.42) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL20314978 0.82 TLR9 (0.40) ITGB3ITGA2BALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220110-A1 METHYL- AND TRIFLUOROMETHYL-CONTAINING DISUBSTITUTED SULFONAMIDE SELECTIVE BCL-2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-14 US disclosed
US-20220002290-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-06 US disclosed
WO-2010146338-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2010-12-23 WO disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 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 (3 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-20220002290-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR BCL2L11, BCL2, BCL2L2 ITGB3 4779/4885ITGA2B 4539/4885ALDH1A1 2458/4885
US-20220220110-A1 METHYL- AND TRIFLUOROMETHYL-CONTAINING DISUBSTITUTED SULFONAMIDE SELECTIVE BCL-2 INHIBITOR BCL2L11, BCL2, BCL2L1 ITGB3 4764/4885ITGA2B 4492/4885ALDH1A1 3369/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 ITGB3 4354/4885ITGA2B 3424/4885ALDH1A1 1197/4885

“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.