SCHEMBL12870428

SCHEMBL12870428

COC(=O)C1(NC(C)C)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 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
SCHEMBL12870395 0.98 MAPT (0.46) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL15461453 0.94 MAPT (0.42) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL13197421 0.91 NPSR1 (0.42) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL15461502 0.82 PKM (0.38) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL15461486 0.81 MAPT (0.34) MAPTALDH1A1L3MBTL1NPSR1
SCHEMBL15461521 0.81 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1NPSR1CYP2D6
SCHEMBL15461485 0.81 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1CYP3A4MEN1
SCHEMBL15461489 0.81 MAPT (0.41) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL15461537 0.80 ALDH1A1 (0.37) MAPTALDH1A1L3MBTL1NPSR1CYP2D6
SCHEMBL15461491 0.80 MAPT (0.40) MAPTALDH1A1L3MBTL1NPSR1CYP3A4

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-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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 (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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A MAPT 45/4885ALDH1A1 1556/4885L3MBTL1 203/4885
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS STS, SCLY, TST MAPT 4740/4885ALDH1A1 1128/4885L3MBTL1 3983/4885

“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.