SCHEMBL924482

SCHEMBL924482

CC(=O)N1CC(C(=O)O)Oc2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 2/20 0.41
CYP2C9 P11712 2/20 0.40
HSD17B3 P37058 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PDK1 Q15118 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CREBBP Q92793 1/20 0.37
CPT1A P50416 2/20 0.36
CPT1B Q92523 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
AKR1B1 P15121 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
SCHEMBL20804551 0.83 CREBBP (0.53) NOTUMCYP2C9HSD17B3KMT2AMEN1
SCHEMBL924847 0.81 NOTUM (0.53) NOTUMPOLBL3MBTL1CYP2C9HSD17B3
SCHEMBL17443415 0.76 NISCH (0.48) POLBL3MBTL1RORCCYP2C9KMT2A
SCHEMBL30929537 0.73 RORC (0.52) POLBL3MBTL1RORCCYP2C9KMT2A
SCHEMBL30929540 0.73 RORC (0.52) POLBL3MBTL1RORCCYP2C9KMT2A
SCHEMBL3387468 0.72 KMT2A (0.51) NOTUMPOLBL3MBTL1CYP2C9KMT2A
SCHEMBL17447904 0.71 POLB (0.44) NOTUMPOLBL3MBTL1RORCCYP2C9
SCHEMBL26817417 0.70 NOTUM (0.62) NOTUMPOLBHSD17B3ALDH1A1
SCHEMBL18593251 0.69 POLB (0.41) POLBL3MBTL1CYP2C9HSP90AA1PDK1
SCHEMBL22617309 0.68 CA2 (0.47) POLBALDH1A1AKR1B1

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-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP NOTUM 807/4885POLB 2226/4885L3MBTL1 3489/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP NOTUM 807/4885POLB 2226/4885L3MBTL1 3489/4885

“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.