SCHEMBL16852159

SCHEMBL16852159

Cc1ncc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.34
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
POLQ O75417 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KIF11 P52732 1/20 0.31
HSP90AA1 P07900 1/20 0.30
ASPH Q12797 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
SCHEMBL19366821 0.88 HSP90AA1 (0.33) AGBL2POLBHSP90AA1
SCHEMBL19370438 0.88 AGBL2 (0.31) AGBL2POLBHSP90AA1
SCHEMBL16404975 0.88 AGBL2 (0.43) AGBL2POLBPKMPOLQHPGD
SCHEMBL13688735 0.85 HSP90AA1 (0.36) POLBHSP90AA1
SCHEMBL24662463 0.85 CYP11B2 (0.38) AGBL2POLBPKMPOLQASPH
SCHEMBL20457089 0.84 AGBL2 (0.41) AGBL2POLBPKMPOLQHPGD
SCHEMBL19628512 0.80 POLB (0.33) AGBL2POLBPKMPOLQKIF11
SCHEMBL10197339 0.78 HSP90AA1 (0.36) AGBL2POLBPKMPOLQHPGD
SCHEMBL19370437 0.78 PIK3CD (0.46) POLBPKMPOLQ
SCHEMBL10201441 0.78 MAP3K12 (0.42) HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 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-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE AGBL2 1843/4885POLB 3310/4885PKM 3459/4885
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 AGBL2 1515/4885POLB 4760/4885PKM 2501/4885

“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.