SCHEMBL5188799

SCHEMBL5188799

NC(=O)CCC(=O)c1cccs1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.81
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
LMNA P02545 2/20 0.81
POLB P06746 2/20 0.81
NPC1 O15118 2/20 0.81
RAB9A P51151 2/20 0.81
HPGD P15428 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CTNNB1 P35222 5/20 0.58
WNT3A P56704 4/20 0.58
GSK3B P49841 1/20 0.58
HDAC1 Q13547 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
ERCC5 P28715 1/20 0.53

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
SCHEMBL1476817 0.91 KMT2A (0.71) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL2216212 0.90 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL8521100 0.84 ALDH1A1 (0.80) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL6423116 0.84 ALDH1A1 (0.80) ALDH1A1MEN1KMT2ALMNAPOLB
Hydrochloric Acid SCHEMBL28220428 0.82 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL1201437 0.82 ERCC5 (0.65) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL759462 0.82 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL22721189 0.82 ALDH1A1 (0.83) ALDH1A1MEN1KMT2ALMNAPOLB
Hydrochloric Acid SCHEMBL1373347 0.81 ALDH1A1 (0.81) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL18755474 0.81 ALDH1A1 (0.81) ALDH1A1MEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO 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 (4 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885MEN1 2872/4885KMT2A 2302/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885MEN1 2872/4885KMT2A 2302/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALDH1A1 2036/4885MEN1 734/4885KMT2A 693/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 ALDH1A1 2482/4885MEN1 2870/4885KMT2A 2312/4885

“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.