SCHEMBL7117245

SCHEMBL7117245

C=CCOC(=O)[C@H](CSC(C)=O)NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TSHR P16473 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL7117253 1.00 SMN1; SMN2 (0.41) SMN1; SMN2TDP1MAPTKDM4ETHRB
SCHEMBL7119570 0.85 SMN1; SMN2 (0.35) SMN1; SMN2TDP1MAPTKDM4ETHRB
SCHEMBL7119567 0.85 SMN1; SMN2 (0.35) SMN1; SMN2TDP1MAPTKDM4ETHRB
SCHEMBL11234237 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTKDM4ETHRB
SCHEMBL11234232 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTKDM4ETHRB
SCHEMBL2294810 0.80 CYP1A2 (0.42) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL4879818 0.80 CYP1A2 (0.42) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL5656969 0.80 KDM4E (0.38) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL6470507 0.80 KDM4E (0.38) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL9966095 0.80 KDM4E (0.38) SMN1; SMN2MAPTKDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US claimed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO claimed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US claimed
US-5728373-A EXHIBITING DEEP SKIN PENETRATION BEIERSDORF AG (DE) 1998-03-17 US claimed
EP-0656774-B1 COSMETIC AND DERMATOLOGICAL SUNSCREEN COMPOSITIONS CONTAINING THIOLS AND/OR THIOL DERIVATES BEIERSDORF AG (DE) 1997-01-22 EP claimed
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US disclosed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO disclosed
US-20030229141-A1 N-acetyl cysteine and its topical use YU RUEY J (US) 2003-12-11 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 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-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 SMN1; SMN2 729/4885TDP1 3813/4885MAPT 981/4885

“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.