SCHEMBL6536885

SCHEMBL6536885

CC(CC(N)=O)SSC(C)CC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.34
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 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
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2964153 0.81
SCHEMBL27515423 0.77 TSHR (0.44) ECE1TDP1ALDH1A1LMNAALOX15
SCHEMBL6398798 0.77 TSHR (0.44) ECE1TDP1ALDH1A1LMNAALOX15
SCHEMBL5743993 0.75
SCHEMBL2858121 0.74 SLC22A6 (0.43) TDP1ALDH1A1LMNACYP1A2
SCHEMBL3392036 0.73 ALDH1A1 (0.38) ECE1TDP1ALDH1A1LMNAALOX15
Isovaleramide SCHEMBL9641 0.73
Isovaleramide SCHEMBL6055503 0.73 ALDH1A1 (0.53) ECE1TDP1ALDH1A1LMNAALOX15
SCHEMBL6536809 0.72 ALDH1A1 (0.33) TDP1ALDH1A1TP53CA2
Isovaleramide SCHEMBL1650316 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696234-B2 Silver halide photosensitive material and isothiazolidine-3-one derivative FUJI PHOTO FILM CO., LTD. (JP) 2004-02-24 US disclosed
US-20030190566-A1 Silver halide photosensitive material and isothiazolidine-3-one derivative FUJI PHOTO FILM CO., LTD. 2003-10-09 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 (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-20030190566-A1 Silver halide photosensitive material and isothiazolidine-3-one derivative NRP1, NR2E3, SCN1B ECE1 4703/4885TDP1 3096/4885ALDH1A1 172/4885

“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.