SCHEMBL5409905

SCHEMBL5409905

CCN(CC)C(=O)CCc1c[nH]c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ALPL P05186 3/20 0.38
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
EHMT2 Q96KQ7 6/20 0.32
PTPN1 P18031 1/20 0.32
RECQL P46063 1/20 0.31
AURKA O14965 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
SCHEMBL5410752 0.88 ALPL (0.36) ALDH1A1ALPLHSD17B10MAPK1CYP3A4
SCHEMBL5417695 0.83 AURKA (0.41) ALDH1A1ALPLHSD17B10MAPK1CYP3A4
SCHEMBL6407392 0.80 ALDH1A1 (0.41) ALDH1A1LMNAPTPN1RECQLAURKA
SCHEMBL3629414 0.78 HSD17B10 (0.51) ALDH1A1ALPLHSD17B10MAPK1CYP3A4
SCHEMBL7236120 0.75 ALDH1A1 (0.41) ALDH1A1ALPLLMNAHSD17B10
SCHEMBL6767802 0.67 ALPL (0.39) ALDH1A1ALPLLMNAHSD17B10MAPK1
SCHEMBL6692185 0.67 CDK4 (0.33) LMNA
SCHEMBL1220108 0.66 HSD17B10 (0.42) ALDH1A1ALPLHSD17B10MAPK1CYP3A4
SCHEMBL7667971 0.65 HSD17B10 (0.43) ALDH1A1ALPLHSD17B10MAPK1CYP3A4
SCHEMBL6773177 0.64 MAPT (0.52) ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 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-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 ALDH1A1 3457/4885ALPL 2767/4885LMNA 2012/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 ALDH1A1 2196/4885ALPL 3762/4885LMNA 3031/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM ALDH1A1 2442/4885ALPL 1712/4885LMNA 2586/4885

“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.