SCHEMBL801285

SCHEMBL801285

CC(=O)N[C@H](C(C)C)C(C)(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TAS1R2 Q8TE23 3/20 0.32
ADAM17 P78536 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL801237 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL801063 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL11911982 0.83 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1TAS1R2ADAM17
SCHEMBL12435119 0.83 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1TAS1R2ADAM17
SCHEMBL12344320 0.83 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1TAS1R2ADAM17
SCHEMBL25015671 0.79 ALDH1A1 (0.34) ALDH1A1ADAM17POLBKDM4EMAPT
SCHEMBL14266502 0.78 NFKB1 (0.36) ALDH1A1ADAM17POLBKDM4EMAPT
SCHEMBL3453126 0.75 PLA2G2C (0.35) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL38665130 0.75 CA1 (0.51)
SCHEMBL18612347 0.74 ALDH1A1 (0.35) ALDH1A1ADAM17KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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 (1 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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 ALDH1A1 178/4885TAS1R3 4241/4885TAS1R1 3811/4885

“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.