SCHEMBL3184286

SCHEMBL3184286

C=CCCC(C)C[C@@H](NC(C)=O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
ALDH1A1 P00352 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
FOLH1 Q04609 1/20 0.38
BIRC2 Q13490 1/20 0.36
POLB P06746 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL3184278 1.00 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1PLA2G2CFOLH1
SCHEMBL13019264 0.85 PLA2G2C (0.44) TAS1R3TAS1R1ALDH1A1PLA2G2C
SCHEMBL3176866 0.84 ALDH1A1 (0.61) ALDH1A1PLA2G2CFOLH1
SCHEMBL3176868 0.84 ALDH1A1 (0.61) ALDH1A1PLA2G2CFOLH1
SCHEMBL3182926 0.83 TAS1R3 (0.40) TAS1R3TAS1R1FOLH1BIRC2
SCHEMBL3182911 0.83 TAS1R3 (0.40) TAS1R3TAS1R1FOLH1BIRC2
SCHEMBL3182915 0.83 TAS1R3 (0.40) TAS1R3TAS1R1FOLH1BIRC2
SCHEMBL3194820 0.82 CTSK (0.43) TAS1R3TAS1R1
SCHEMBL3194826 0.82 CTSK (0.43) TAS1R3TAS1R1
SCHEMBL11316551 0.78 ALDH1A1 (0.64) TAS1R3TAS1R1ALDH1A1FOLH1BIRC2

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 TAS1R3 4138/4885TAS1R1 4218/4885ALDH1A1 4236/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 TAS1R3 4138/4885TAS1R1 4218/4885ALDH1A1 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.