SCHEMBL3186100

SCHEMBL3186100

C=CCCCCSCC(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ABCC4 O15439 1/20 0.40
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NOS2 P35228 1/20 0.33
APEX1 P27695 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3186090 1.00 MAPT (0.40) MAPTABCC4LMNAALDH1A1NOS2
SCHEMBL4621726 0.87 APEX1 (0.36) MAPTABCC4NOS2APEX1
SCHEMBL4621721 0.87 APEX1 (0.36) MAPTABCC4NOS2APEX1
SCHEMBL31711197 0.79 NOS2 (0.50) MAPTABCC4ALDH1A1NOS2
SCHEMBL7167169 0.78 MAPT (0.52) MAPT
SCHEMBL17530133 0.77 GABRR1 (0.42) NOS2APEX1
SCHEMBL10639673 0.77 MAPT (0.55) MAPT
SCHEMBL11089311 0.77 MAPT (0.55) MAPT
SCHEMBL9106808 0.77 MAPT (0.55) MAPT
SCHEMBL9355083 0.77 MAPT (0.55) MAPT

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 978/4885LMNA 1989/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 MAPT 3352/4885ABCC4 978/4885LMNA 1989/4885

“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.