SCHEMBL3194902

SCHEMBL3194902

C=CCCCCCS(=O)(=O)CC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.33
GCLC P48506 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
FAAH O00519 2/20 0.30

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
SCHEMBL3194889 1.00 MAPT (0.42) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3191425 0.98 MAPT (0.39) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3191438 0.98 MAPT (0.39) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3184142 0.93 ABCC4 (0.36) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3192453 0.93 ABCC4 (0.36) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3194978 0.86 GCLC (0.34) MAPTABCC4GCLC
SCHEMBL3194974 0.86 GCLC (0.34) MAPTABCC4GCLC
Hydrochloric Acid SCHEMBL9359667 0.78 ACE2 (0.49) MAPTACE2FAAH
SCHEMBL6906378 0.78 ACE2 (0.47) GCLCACE2FAAH
SCHEMBL2350579 0.75 GABRR1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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 (2 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 MAPT 3352/4885ABCC4 978/4885ALDH1A1 4236/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 MAPT 3352/4885ABCC4 978/4885ALDH1A1 4236/4885

“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.