SCHEMBL5410458

SCHEMBL5410458

CC1(C)CC(=O)c2c(CCC(=O)N3CCOCC3)c[nH]c2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
FKBP1A P62942 3/20 0.41
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 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
SCHEMBL6409087 0.90 KMT2A (0.46) GAAALDH1A1MAPTGLAKMT2A
SCHEMBL7236120 0.88 ALDH1A1 (0.41) HSD17B10GAAALDH1A1MAPTGLA
SCHEMBL5417695 0.80 AURKA (0.41) HSD17B10ALDH1A1KMT2ANPSR1BRD4
SCHEMBL5410752 0.76 ALPL (0.36) HSD17B10TSHRALDH1A1NPSR1
SCHEMBL5409905 0.74 ALDH1A1 (0.39) HSD17B10ALDH1A1
SCHEMBL3629414 0.72 HSD17B10 (0.51) HSD17B10ALDH1A1KMT2AMEN1HTT
SCHEMBL5405308 0.72 FKBP1A (0.47) HSD17B10FKBP1AGAAALOX15TSHR
SCHEMBL5413673 0.70 KMT2A (0.50) GAAALDH1A1MAPTGLAKMT2A
SCHEMBL5410145 0.69 GLA (0.42) GAAALDH1A1MAPTGLAKMT2A
SCHEMBL6613602 0.68 GAA (0.43) GAAALDH1A1MAPTGLAKMT2A

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 HSD17B10 2261/4885FKBP1A 663/4885GAA 989/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 HSD17B10 1857/4885FKBP1A 1153/4885GAA 4509/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM HSD17B10 2552/4885FKBP1A 847/4885GAA 3453/4885

“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.