SCHEMBL734812

SCHEMBL734812

CCCCS(=O)(=O)N1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7132578 1.00 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPTNPC1KDM4E
SCHEMBL10722736 0.91 FAAH (0.48) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL10721831 0.91 FAAH (0.48) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL7122564 0.91 FAAH (0.48) L3MBTL1ALDH1A1KDM4EGLAGAA
SCHEMBL13013076 0.91 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTNPC1GAA
SCHEMBL1321117 0.89 TSHR (0.44) L3MBTL1ALDH1A1MAPTNPC1GAA
SCHEMBL7529444 0.86 KDM4E (0.39) L3MBTL1ALDH1A1MAPTNPC1KDM4E
SCHEMBL7297373 0.85 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPTNPC1KDM4E
SCHEMBL73678 0.85 NPC1 (0.38) L3MBTL1ALDH1A1MAPTNPC1KDM4E
SCHEMBL4073047 0.85 KMT2A (0.41) L3MBTL1ALDH1A1MAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103102304-B Preparation method of N-sulfonyl substituted tetrahydroisoquinoline derivatives UNIV ANHUI NORMAL 2015-03-11 CN disclosed
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
CN-101495152-A Preparation of polymer conjugates of vla-4 antagonists via a mitsunobu' s reaction ELAN PHARM INC (US) 2009-07-29 CN disclosed
EP-2019690-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU'S REACTION Elan Pharmaceuticals Inc. (US) 2009-02-04 EP disclosed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 US disclosed
WO-2007137260-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU' S REACTION ELAN PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed
US-4407939-A GELATIN MODIFIED WITH SUCCINIC, PHTHALIC OR TRIMELLITIC ANHYDRIDE POSITIONED BETWEEN FUJI PHOTO FILM CO., LTD. (JP) 1983-10-04 US disclosed
US-4021245-A GELATION DERIVATIVE, SILICIC ACID ANHYDRIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 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-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds PIGO, MANBA, OAT L3MBTL1 3566/4885ALDH1A1 174/4885MAPT 680/4885

“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.